(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
1.00