(Si16O32H5)2 job_2431 optical spectra
1
9.739711 0.184353 0.197977
0.000000 9.882882 0.343648
0.000000 0.000000 13.983244
Si O H
32 64 10
Direct configuration= 1
0.12208643 0.19539557 0.02604227
0.39061411 0.09047321 0.40535014
0.09427962 0.44313899 0.16575058
0.34214498 0.37206459 0.29269726
0.13097863 0.10944050 0.49992874
0.36446515 0.10895363 0.89965666
0.15291844 0.36727468 0.60933144
0.36059147 0.37327309 0.77633149
0.13720084 0.66415297 0.00106630
0.38737351 0.65124599 0.35118571
0.05944254 0.92205344 0.11769756
0.31219544 0.00181549 0.20839722
0.14532044 0.63028860 0.49101411
0.38954323 0.62810385 0.87626947
0.07777075 0.87506153 0.62980778
0.33828079 0.98175006 0.72377634
0.63237413 0.12796816 0.99199487
0.88959845 0.10834352 0.36926628
0.55287818 0.36970649 0.11897992
0.84762166 0.29848680 0.17922519
0.64595517 0.18213419 0.51827438
0.90467033 0.18398341 0.87348677
0.59744824 0.44752798 0.62421380
0.87499167 0.43135974 0.74843285
0.60623377 0.63640297 0.02419476
0.86775733 0.59542233 0.39693326
0.60748937 0.90498952 0.13722476
0.83130419 0.85079174 0.27443121
0.61417813 0.69535541 0.49164251
0.86703144 0.61858162 0.91509739
0.64931339 0.94486799 0.67738161
0.89090294 0.90455353 0.80588589
0.04964602 0.08160438 0.09077199
0.33517898 0.23401898 0.35953225
0.13730874 0.32252668 0.09516858
0.38259806 0.48189468 0.37222908
0.44028749 0.34441425 0.20029817
0.19948451 0.43606506 0.25306373
0.27973263 0.02579844 0.48944026
0.04887370 0.12052227 0.40145029
0.04369877 0.02107107 0.57881545
0.39656230 0.23391412 0.83006169
0.20593253 0.23244628 0.55491945
0.35007172 0.46913341 0.86748211
0.48552432 0.41012175 0.70812113
0.21891940 0.35606957 0.71267106
0.27915566 0.14996930 0.99481145
0.02092307 0.26192949 0.93244162
0.11611543 0.58554553 0.10535518
0.37023504 0.72216426 0.24512645
0.07099678 0.81758836 0.03227968
0.40015751 0.98575828 0.31134691
0.44586111 0.94821951 0.14789047
0.17757068 0.91863125 0.20245724
0.25946263 0.70304874 0.41554111
0.02229091 0.56798874 0.43381993
0.19571962 0.51332261 0.56578918
0.36828964 0.70056015 0.77756917
0.08604158 0.75526382 0.55785889
0.30022066 0.99291081 0.83950596
0.49070657 0.92129546 0.69949262
0.21391669 0.88464693 0.69167834
0.29137223 0.69085246 0.96285136
0.03912825 0.60828890 0.92369252
0.68310275 0.02830186 0.07466654
0.86901972 0.19018954 0.26485601
0.55459640 0.26431830 0.03709292
0.80563366 0.43958423 0.39099934
0.94326695 0.42003532 0.20933856
0.69115320 0.35585451 0.18692266
0.78999564 0.16973292 0.44897929
0.53419882 0.10802852 0.44586594
0.64669698 0.08695506 0.61850297
0.88196272 0.26715539 0.77258400
0.62007862 0.33314875 0.54238388
0.80988030 0.50527950 0.84546855
0.98227431 0.36023148 0.60138385
0.75040945 0.47406606 0.66502337
0.75092821 0.18015874 0.92668254
0.51543121 0.04314424 0.93619173
0.50973271 0.51638461 0.07410254
0.87059250 0.68920947 0.29831969
0.61026117 0.77501041 0.07463999
0.87015588 0.94504802 0.36675671
0.90733829 0.89916422 0.18025909
0.67210448 0.87330916 0.23914081
0.77878065 0.67539498 0.47408499
0.54130439 0.66558435 0.39259375
0.54861883 0.59710078 0.58019320
0.85519766 0.77423373 0.87314716
0.58296278 0.85648058 0.51195719
0.95598161 0.02380779 0.86196833
0.95501497 0.84702969 0.70668681
0.73582248 0.98049152 0.77142565
0.76711774 0.58672120 0.01343301
0.53851223 0.66671065 0.91811730
0.72702856 0.81690182 0.65323288
0.56669350 0.89154683 0.43965406
0.86863023 0.24468111 0.08683914
0.72366242 0.45042265 0.33817820
0.32967607 0.10332664 0.67862529
0.30903320 0.72977904 0.71807694
0.34773038 0.69046318 0.18720513
0.27588205 0.14865875 0.19237777
0.99848156 0.50001396 0.72707717
0.93067985 0.36438620 0.54593078
(Si16O32H5)2 job_2431 optical spectra
1
9.681816 0.211515 0.162536
0.025386 9.907378 0.366326
-0.050090 0.034564 13.912013
Si O H
32 64 10
Direct configuration= 2
0.12198412 0.20833299 0.02109833
0.37354813 0.08170589 0.39835695
0.10069801 0.44421957 0.16350717
0.34290893 0.36996707 0.29593481
0.14110477 0.10492814 0.50397225
0.37699166 0.10210542 0.90442607
0.14742659 0.36421799 0.60556049
0.35293476 0.37207927 0.77628114
0.13610793 0.67405440 0.00847441
0.38769026 0.64261687 0.35058720
0.04920740 0.91744473 0.12677912
0.33224460 0.00818804 0.21413346
0.14711301 0.64128124 0.49128267
0.38931437 0.62983925 0.88129445
0.07490151 0.87774569 0.63047228
0.34077567 0.96936538 0.72843429
0.61566232 0.12836220 0.99249857
0.88921417 0.11091512 0.36548239
0.55765985 0.36918127 0.12373940
0.84197842 0.29841428 0.18228821
0.65123551 0.16090047 0.51439988
0.89873003 0.18130037 0.87374867
0.60325296 0.45307586 0.62619145
0.86031706 0.43315203 0.74367257
0.60389607 0.63251003 0.01824320
0.86937951 0.58909853 0.39444748
0.59918038 0.91326476 0.13498902
0.82929182 0.84808771 0.27848958
0.61302764 0.69430965 0.49740074
0.86623252 0.61847734 0.91532522
0.65480503 0.94020876 0.67868182
0.87107208 0.90445151 0.79985743
0.04717794 0.07844244 0.08749135
0.33181716 0.23619654 0.35884380
0.13746219 0.32115966 0.09298278
0.38407543 0.48448184 0.36682945
0.43287570 0.34281815 0.20521589
0.19771946 0.43582598 0.25380378
0.28305858 0.02709868 0.48193734
0.05011119 0.12554341 0.40119440
0.04082532 0.02223358 0.57822622
0.39775936 0.23246645 0.82850918
0.20150835 0.23871092 0.55265808
0.34906057 0.47234335 0.86827748
0.49198160 0.41135762 0.70268376
0.22253443 0.35723524 0.71882578
0.27112272 0.15038715 0.99487357
0.02742412 0.25438235 0.93823030
0.11783792 0.58413814 0.10538854
0.37710151 0.72406769 0.25794726
0.07439227 0.81788089 0.03193126
0.39414742 0.99167001 0.31853004
0.44482631 0.94964880 0.14290534
0.16732152 0.91005953 0.19845054
0.25388658 0.70202875 0.42117365
0.02167397 0.56750289 0.43262763
0.20150906 0.51472488 0.56432879
0.36202032 0.70672242 0.76474519
0.08805521 0.74868460 0.55364484
0.29753717 0.98986136 0.83708926
0.48191763 0.91851180 0.70234336
0.21956886 0.88174372 0.69100977
0.28783477 0.68800749 0.96370761
0.03010542 0.60226529 0.92180041
0.68746247 0.02158347 0.08159600
0.87036053 0.17919120 0.27129074
0.55661007 0.25815144 0.03352829
0.79328886 0.44779914 0.38068620
0.94493334 0.42605400 0.20752919
0.68728932 0.35966742 0.18410384
0.78193632 0.17196631 0.45557527
0.55109051 0.11485370 0.45257386
0.65019301 0.09846928 0.60947156
0.88352534 0.26852771 0.77290351
0.61435185 0.34230305 0.54438664
0.81331393 0.50469549 0.84468129
0.99041275 0.35849245 0.61007138
0.75448230 0.46945716 0.66996574
0.76650851 0.18496910 0.92085665
0.51237077 0.04956219 0.93588833
0.51515706 0.52369906 0.07360270
0.86857912 0.69271164 0.29826348
0.61034746 0.77370220 0.07575675
0.86619166 0.94060637 0.36233041
0.92474976 0.90137832 0.17019624
0.67484728 0.87199247 0.24544167
0.77524847 0.67781333 0.47827663
0.54016118 0.66935554 0.38948219
0.55107006 0.59748707 0.57618555
0.85298780 0.77219275 0.87550580
0.58000852 0.85763698 0.50109980
0.96138278 0.03079717 0.86354734
0.95637019 0.84694185 0.70930894
0.74558271 0.97621316 0.77594638
0.77373719 0.58826774 0.01005152
0.54093220 0.66292507 0.91776557
0.72411420 0.81895101 0.65168785
0.56885851 0.88975295 0.44996171
0.86958245 0.24407535 0.08442709
0.73648004 0.44670394 0.34671041
0.32768699 0.11695385 0.67371885
0.31559933 0.72588457 0.72723449
0.34351664 0.68310197 0.17720455
0.27655931 0.14563158 0.19184919
0.00286917 0.50288172 0.72734201
0.92567607 0.36518868 0.53920458
(Si16O32H5)2 job_2431 optical spectra
1
9.722068 0.192630 0.187177
0.007736 9.890347 0.350559
-0.015264 0.010533 13.961537
Si O H
32 64 10
Direct configuration= 3
0.12209719 0.19934721 0.02456735
0.38549390 0.08773499 0.40326501
0.09621890 0.44347730 0.16506471
0.34235905 0.37143154 0.29366868
0.13399938 0.10808826 0.50112369
0.36820049 0.10689227 0.90106346
0.15127583 0.36631757 0.60820227
0.35828809 0.37289183 0.77632864
0.13686357 0.66720341 0.00330984
0.38745514 0.64860099 0.35099569
0.05632485 0.92064360 0.12044581
0.31821249 0.00382272 0.21009596
0.14587831 0.63366122 0.49110355
0.38945940 0.62864779 0.87778505
0.07691083 0.87587994 0.63001586
0.33899122 0.97797186 0.72516147
0.62734993 0.12805672 0.99217665
0.88950134 0.10912122 0.36813015
0.55429721 0.36956709 0.12040423
0.84591424 0.29846099 0.18015759
0.64751759 0.17562858 0.51707549
0.90287900 0.18315004 0.87357332
0.59919593 0.44924455 0.62480501
0.87060142 0.43186759 0.74702721
0.60554558 0.63519045 0.02240238
0.86824238 0.59348159 0.39617501
0.60501512 0.90750296 0.13657503
0.83067970 0.84996935 0.27565411
0.61380956 0.69504715 0.49337758
0.86679029 0.61854864 0.91516731
0.65095081 0.94345457 0.67775846
0.88496400 0.90446742 0.80410545
0.04891030 0.08062231 0.08978500
0.33417498 0.23467777 0.35933321
0.13736029 0.32210261 0.09450857
0.38306639 0.48267681 0.37060307
0.43803899 0.34392271 0.20179064
0.19895087 0.43599013 0.25328948
0.28076186 0.02618464 0.48717617
0.04925574 0.12206268 0.40137639
0.04283935 0.02142005 0.57864434
0.39692508 0.23346901 0.82959047
0.20462237 0.23435135 0.55425296
0.34977077 0.47011698 0.86772686
0.48748714 0.41049969 0.70647347
0.21998581 0.35644947 0.71451944
0.27674172 0.15008142 0.99484486
0.02284237 0.25964447 0.93416534
0.11663047 0.58511781 0.10536067
0.37225594 0.72279350 0.24897740
0.07201916 0.81768392 0.03216903
0.39833582 0.98757579 0.31352716
0.44557074 0.94864286 0.14639251
0.17448895 0.91597412 0.20125962
0.25776437 0.70273920 0.41724621
0.02210891 0.56783563 0.43346143
0.19746761 0.51376021 0.56534059
0.36646295 0.70240358 0.77372481
0.08665008 0.75324125 0.55657919
0.29941727 0.99196495 0.83877965
0.48804946 0.92043207 0.70036378
0.21561270 0.88376696 0.69146386
0.29030068 0.68997578 0.96311247
0.03641211 0.60642033 0.92313228
0.68437580 0.02626937 0.07673850
0.86937936 0.18683830 0.26677976
0.55520331 0.26242372 0.03600924
0.80197551 0.44205079 0.38792413
0.94378535 0.42187835 0.20879712
0.69000900 0.35700804 0.18608468
0.78755342 0.17041774 0.45098242
0.53926413 0.11017057 0.44786340
0.64780150 0.09046752 0.61578916
0.88243374 0.26757983 0.77267892
0.61836676 0.33594738 0.54300697
0.81091414 0.50510544 0.84522474
0.98468585 0.35973675 0.60398388
0.75160732 0.47267439 0.66649966
0.75564108 0.18164926 0.92490550
0.51452414 0.04510394 0.93611264
0.51137827 0.51863550 0.07395019
0.86999393 0.69027843 0.29831008
0.61028068 0.77461253 0.07497476
0.86897228 0.94366795 0.36542598
0.91261217 0.89985220 0.17720002
0.67290366 0.87292704 0.24103210
0.77770821 0.67613948 0.47535620
0.54097892 0.66672980 0.39166273
0.54937082 0.59721397 0.57898232
0.85452117 0.77360984 0.87385923
0.58211625 0.85680170 0.50869386
0.95761208 0.02596425 0.86244174
0.95541265 0.84701208 0.70747399
0.73873195 0.97921145 0.77276522
0.76912243 0.58719983 0.01240454
0.53923397 0.66555463 0.91800303
0.72616192 0.81752001 0.65277494
0.56730363 0.89102741 0.44275255
0.86892407 0.24449133 0.08611039
0.72747734 0.44933028 0.34072103
0.32912084 0.10748596 0.67716575
0.31096652 0.72862188 0.72081901
0.34648664 0.68817397 0.18419298
0.27608201 0.14773119 0.19221415
-0.00019538 0.50090215 0.72715220
0.92920169 0.36460516 0.54391486
(Si16O32H5)2 job_2431 optical spectra
1
9.723070 0.192160 0.187790
0.007297 9.889923 0.350167
-0.014397 0.009935 13.962770
Si O H
32 64 10
Direct configuration= 4
0.12209927 0.19912333 0.02465317
0.38578992 0.08788625 0.40338641
0.09610767 0.44345867 0.16510353
0.34234568 0.37146790 0.29361253
0.13382361 0.10816654 0.50105341
0.36798304 0.10701101 0.90098055
0.15137113 0.36637029 0.60826769
0.35842085 0.37291236 0.77632961
0.13688246 0.66703226 0.00318150
0.38744955 0.64875024 0.35100599
0.05650203 0.92072334 0.12028846
0.31786474 0.00371290 0.20999629
0.14584737 0.63347111 0.49109895
0.38946326 0.62861787 0.87769795
0.07696060 0.87583348 0.63000440
0.33894766 0.97818621 0.72508058
0.62763973 0.12804966 0.99216814
0.88950814 0.10907666 0.36819578
0.55421416 0.36957634 0.12032165
0.84601201 0.29846222 0.18010456
0.64742583 0.17599588 0.51714242
0.90298197 0.18319637 0.87356884
0.59909529 0.44914871 0.62477069
0.87085605 0.43183628 0.74710995
0.60558623 0.63525764 0.02250557
0.86821423 0.59359095 0.39621804
0.60515938 0.90735965 0.13661397
0.83071445 0.85001617 0.27558376
0.61382934 0.69506533 0.49327776
0.86680414 0.61855044 0.91516337
0.65085548 0.94353527 0.67773580
0.88530806 0.90446877 0.80421023
0.04895315 0.08067690 0.08984188
0.33423333 0.23464004 0.35934521
0.13735767 0.32212621 0.09454646
0.38304095 0.48263198 0.37069669
0.43816737 0.34395030 0.20170547
0.19898146 0.43599425 0.25327667
0.28070441 0.02616206 0.48730621
0.04923436 0.12197584 0.40138085
0.04288921 0.02139989 0.57865460
0.39690435 0.23349404 0.82961735
0.20469924 0.23424287 0.55429228
0.34978833 0.47006145 0.86771311
0.48737533 0.41047831 0.70656766
0.21992297 0.35642948 0.71441270
0.27688103 0.15007407 0.99484390
0.02272937 0.25977522 0.93406483
0.11660058 0.58514218 0.10536005
0.37213654 0.72276092 0.24875505
0.07196029 0.81767890 0.03217503
0.39843993 0.98747358 0.31340275
0.44558884 0.94861803 0.14647897
0.17466668 0.91612215 0.20132916
0.25786090 0.70275687 0.41714863
0.02211963 0.56784400 0.43348211
0.19736727 0.51373601 0.56536584
0.36657211 0.70229666 0.77394728
0.08661519 0.75335500 0.55665217
0.29946383 0.99201761 0.83882156
0.48820176 0.92048015 0.70031445
0.21551466 0.88381725 0.69147535
0.29036196 0.69002495 0.96309765
0.03656855 0.60652435 0.92316515
0.68429992 0.02638578 0.07661825
0.86935578 0.18702869 0.26666810
0.55516841 0.26253035 0.03607096
0.80218998 0.44190831 0.38810316
0.94375659 0.42177423 0.20882852
0.69007613 0.35694197 0.18613363
0.78769303 0.17037911 0.45086819
0.53897111 0.11005289 0.44774693
0.64774128 0.09026824 0.61594579
0.88240666 0.26755612 0.77267337
0.61846614 0.33578899 0.54297240
0.81085460 0.50511558 0.84523834
0.98454446 0.35976712 0.60383314
0.75153650 0.47275426 0.66641388
0.75537112 0.18156617 0.92500633
0.51457730 0.04499287 0.93611800
0.51128432 0.51850905 0.07395884
0.87002889 0.69021782 0.29831111
0.61027913 0.77463518 0.07495539
0.86904108 0.94374463 0.36550274
0.91231053 0.89981397 0.17737427
0.67285591 0.87294997 0.24092281
0.77776938 0.67609768 0.47528359
0.54099888 0.66666449 0.39171672
0.54932843 0.59720725 0.57905177
0.85455940 0.77364516 0.87381835
0.58216779 0.85678145 0.50888215
0.95751847 0.02584347 0.86241435
0.95538908 0.84701367 0.70742851
0.73856251 0.97928569 0.77268668
0.76900775 0.58717312 0.01246309
0.53919196 0.66562014 0.91800907
0.72621253 0.81748450 0.65280178
0.56726578 0.89105867 0.44257380
0.86890762 0.24450178 0.08615219
0.72725478 0.44939496 0.34057291
0.32915566 0.10725012 0.67725095
0.31085235 0.72868951 0.72066013
0.34655989 0.68830105 0.18436636
0.27607024 0.14778355 0.19222328
-0.00027143 0.50085261 0.72714758
0.92928865 0.36459108 0.54403155
(Si16O32H5)2 job_2431 optical spectra
1
9.708308 0.178809 0.157438
-0.007126 9.871436 0.355564
-0.056852 0.020014 13.894255
Si O H
32 64 10
Direct configuration= 5
0.11777772 0.20273604 0.02185966
0.38698520 0.08803227 0.40301568
0.10007902 0.44296787 0.16287514
0.34021410 0.37162496 0.29662032
0.13849465 0.10623124 0.50314727
0.36893297 0.10451307 0.90239695
0.15200537 0.36909344 0.60855704
0.35830481 0.37372935 0.77489904
0.12978837 0.67391039 0.00555994
0.38679945 0.64181963 0.35541821
0.05220195 0.92020262 0.12257910
0.32045541 0.00330107 0.21263529
0.14623624 0.63677166 0.49146279
0.38612398 0.63251575 0.87581374
0.07617849 0.87424674 0.63030047
0.33631474 0.97691954 0.72669576
0.62935339 0.12895173 0.99115778
0.88783946 0.10827014 0.37064725
0.55272157 0.36949301 0.12224570
0.84565620 0.29765776 0.18305738
0.64981531 0.17618094 0.51558592
0.90566806 0.18267224 0.87254669
0.60378626 0.45126254 0.62468018
0.86409310 0.43381226 0.74480498
0.60936444 0.63565515 0.01946375
0.86684352 0.59213653 0.39577911
0.60369821 0.90708236 0.13748035
0.83320654 0.84973270 0.27302686
0.61187841 0.69436340 0.49484909
0.86680466 0.61731008 0.91404369
0.65181043 0.94519888 0.67742462
0.87579877 0.90634160 0.80476801
0.04879528 0.08064618 0.08520209
0.33115902 0.23356493 0.35989801
0.13814216 0.32420118 0.09438262
0.38456914 0.48320433 0.36628500
0.43585810 0.34234663 0.20255322
0.19861482 0.43532473 0.25472744
0.28300056 0.02542503 0.48166172
0.05127104 0.12619814 0.40265126
0.04081169 0.02238696 0.57789433
0.39842174 0.22982566 0.82979082
0.20184731 0.23670711 0.55097037
0.34938081 0.47340112 0.86810306
0.48744547 0.41041114 0.70572748
0.21867122 0.35731788 0.71594957
0.27458566 0.14907059 0.99288304
0.02593187 0.25356689 0.93722719
0.11889019 0.58407038 0.10600781
0.37265118 0.71978178 0.24324695
0.07484160 0.81903933 0.03261585
0.39445916 0.98938865 0.31781025
0.44292029 0.95088084 0.14234417
0.17962815 0.91382054 0.20099737
0.25761713 0.70198644 0.41958296
0.02279458 0.56731904 0.43287028
0.20188715 0.51356481 0.56392184
0.37134666 0.69981549 0.77635938
0.08607622 0.75480507 0.55672330
0.29886813 0.99107047 0.83966561
0.49077490 0.91715596 0.70145988
0.21733205 0.88060562 0.68916082
0.28862607 0.68787789 0.96380328
0.03465365 0.60304287 0.92518413
0.68692415 0.02659221 0.07868737
0.86870570 0.18254580 0.26745114
0.55505991 0.26227183 0.03608694
0.79864073 0.44765442 0.38334950
0.94362906 0.42484924 0.20666239
0.68832150 0.36002473 0.18502759
0.78877352 0.17000672 0.45244523
0.53464910 0.11086035 0.44604981
0.65155794 0.08886750 0.61607582
0.88367933 0.26954582 0.77253696
0.61547671 0.33459515 0.54284358
0.81299672 0.50484822 0.84472170
0.98020704 0.35837822 0.60303624
0.75367478 0.46996114 0.66945469
0.75280726 0.18174534 0.92727199
0.51499806 0.04678662 0.93625868
0.51544626 0.51959357 0.07525553
0.86859175 0.69191307 0.29855525
0.60962049 0.77293483 0.07587713
0.86655312 0.94364418 0.36296835
0.91529655 0.89710610 0.17690691
0.67173363 0.87350972 0.24314260
0.77829376 0.67578220 0.47721448
0.54110389 0.67043266 0.39057463
0.55101475 0.59794818 0.57678645
0.85164045 0.77461849 0.87478681
0.58058522 0.85536946 0.50597636
0.95997111 0.02537646 0.86093735
0.95672646 0.84667405 0.70874306
0.74059446 0.97745512 0.77425517
0.77160879 0.58875432 0.01067929
0.54019740 0.66303334 0.91548645
0.72369755 0.81877978 0.65105779
0.56801034 0.89242887 0.44598726
0.86924163 0.24441810 0.08519805
0.73123840 0.44689791 0.34378991
0.32795144 0.11308888 0.67506642
0.30868699 0.72796032 0.72144237
0.34754884 0.68872918 0.18826761
0.27712131 0.14524282 0.19188211
0.00104205 0.50225547 0.72781512
0.93184120 0.36455185 0.54579661
(Si16O32H5)2 job_2431 optical spectra
1
9.716208 0.185954 0.173680
0.000592 9.881328 0.352676
-0.034134 0.014621 13.930918
Si O H
32 64 10
Direct configuration= 6
0.12009750 0.20080065 0.02336766
0.38634537 0.08795292 0.40321370
0.09795627 0.44322686 0.16406879
0.34134928 0.37154405 0.29500538
0.13598788 0.10726670 0.50201551
0.36842252 0.10585239 0.90163360
0.15166261 0.36763328 0.60840138
0.35836972 0.37329059 0.77566865
0.13357928 0.67022943 0.00429072
0.38714297 0.64553823 0.35304464
0.05450153 0.92048618 0.12135211
0.31906109 0.00352159 0.21121314
0.14602435 0.63500217 0.49126749
0.38791496 0.63042732 0.87683172
0.07659821 0.87509812 0.63014177
0.33772301 0.97760143 0.72582991
0.62843664 0.12846632 0.99169936
0.88872864 0.10870515 0.36933070
0.55351704 0.36953988 0.12121274
0.84584058 0.29809104 0.18146974
0.64853822 0.17607911 0.51642023
0.90423132 0.18295072 0.87309315
0.60127074 0.45012594 0.62472401
0.86772146 0.43275634 0.74605266
0.60734641 0.63543757 0.02109524
0.86758032 0.59291696 0.39601635
0.60447949 0.90723256 0.13701606
0.83187719 0.84988139 0.27439890
0.61292084 0.69474202 0.49400618
0.86680800 0.61797437 0.91464549
0.65129805 0.94430616 0.67759127
0.88089233 0.90534462 0.80447938
0.04889084 0.08066000 0.08769727
0.33280620 0.23414380 0.35960399
0.13772046 0.32308813 0.09447033
0.38376007 0.48289379 0.36865574
0.43709500 0.34320850 0.20209960
0.19880843 0.43568478 0.25394756
0.28178385 0.02581517 0.48469420
0.05017317 0.12393387 0.40196680
0.04192611 0.02185880 0.57830577
0.39761102 0.23179132 0.82969492
0.20338162 0.23538607 0.55276055
0.34959564 0.47161124 0.86789465
0.48740991 0.41044660 0.70617918
0.21933775 0.35684340 0.71512477
0.27582125 0.14960901 0.99393985
0.02421302 0.25689481 0.93552150
0.11766243 0.58464374 0.10565661
0.37239070 0.72137527 0.24620758
0.07329529 0.81830823 0.03237584
0.39658069 0.98836741 0.31544516
0.44435840 0.94966717 0.14457122
0.17697173 0.91505074 0.20116957
0.25774265 0.70240109 0.41827401
0.02243471 0.56759963 0.43319839
0.19946832 0.51365254 0.56469314
0.36878410 0.70114371 0.77505624
0.08636375 0.75402811 0.55668602
0.29918615 0.99157916 0.83921218
0.48939580 0.91893693 0.70084019
0.21636605 0.88232473 0.69040259
0.28955644 0.68903058 0.96342529
0.03567793 0.60491185 0.92409978
0.68551269 0.02648091 0.07757177
0.86905582 0.18495001 0.26702972
0.55511822 0.26241051 0.03607841
0.80054953 0.44457360 0.38591118
0.94370007 0.42319952 0.20782810
0.68926202 0.35837263 0.18562510
0.78819103 0.17020653 0.45159587
0.53696878 0.11042952 0.44696755
0.64951326 0.08961582 0.61600120
0.88299600 0.26847816 0.77260934
0.61708010 0.33523721 0.54291598
0.81185012 0.50498973 0.84499701
0.98253459 0.35912540 0.60346938
0.75252385 0.47145884 0.66781640
0.75417584 0.18165245 0.92605662
0.51477081 0.04582477 0.93618298
0.51321181 0.51900998 0.07455376
0.86936004 0.69100540 0.29842601
0.60997266 0.77384741 0.07538181
0.86789256 0.94369828 0.36433401
0.91369949 0.89855541 0.17715416
0.67232943 0.87321175 0.24195035
0.77800843 0.67595210 0.47617548
0.54104731 0.66841178 0.39118957
0.55011574 0.59754843 0.57800286
0.85320177 0.77409932 0.87426960
0.58144134 0.85612582 0.50754039
0.95866050 0.02562421 0.86172868
0.95600688 0.84685596 0.70803456
0.73950322 0.97843599 0.77340896
0.77021774 0.58790374 0.01163593
0.53966654 0.66441792 0.91684120
0.72504850 0.81808612 0.65199879
0.56760218 0.89169581 0.44415118
0.86906494 0.24446215 0.08571073
0.72909784 0.44823568 0.34205484
0.32859733 0.10995826 0.67624392
0.30984622 0.72835324 0.72102402
0.34700930 0.68850128 0.18616872
0.27656082 0.14660397 0.19206376
0.00033542 0.50150286 0.72745500
0.93046908 0.36457213 0.54484454
(Si16O32H5)2 job_2431 optical spectra
1
9.727787 0.169732 0.158953
-0.016454 9.876611 0.358532
-0.055241 0.023411 13.917440
Si O H
32 64 10
Direct configuration= 7
0.11933463 0.20113276 0.02321304
0.38893007 0.09148101 0.40346258
0.10019879 0.44281786 0.16310870
0.33851994 0.36910631 0.29540705
0.13946603 0.10524613 0.50245751
0.36676658 0.10476465 0.90320061
0.15129583 0.37036957 0.60882209
0.36072572 0.37323378 0.77692969
0.12875244 0.67471980 0.00536873
0.38578488 0.64464978 0.35315129
0.05653664 0.92316496 0.12182271
0.31906701 0.00170496 0.21267339
0.14460560 0.63598826 0.49198135
0.38464226 0.63295014 0.87824679
0.07454910 0.87455109 0.63075177
0.33702352 0.97927121 0.72595644
0.63153594 0.12885377 0.99300640
0.88968051 0.10642437 0.37271189
0.54958030 0.36955285 0.12177732
0.84567718 0.29793612 0.18340497
0.64841427 0.17798677 0.51545981
0.90586677 0.18209368 0.87302112
0.60327242 0.45057992 0.62424764
0.86769577 0.43381237 0.74623849
0.61078183 0.63610391 0.01898104
0.86634205 0.59484517 0.39592457
0.60319705 0.90576507 0.13805306
0.83307929 0.84973271 0.27116827
0.61311770 0.69588501 0.49264153
0.86776630 0.61814081 0.91348636
0.65114410 0.94621859 0.67722928
0.87767116 0.90508809 0.80632009
0.04837265 0.07927777 0.08272079
0.32906571 0.23297610 0.36071532
0.13925515 0.32401447 0.09331656
0.38653827 0.48225862 0.36609791
0.43429082 0.34140192 0.20338508
0.19792413 0.43496289 0.25586411
0.28233223 0.02381455 0.48038672
0.05117183 0.12851240 0.40375929
0.04019063 0.02156711 0.57807614
0.39903260 0.23016394 0.82870318
0.20089585 0.23953784 0.54969359
0.34900313 0.47325249 0.86691774
0.48820587 0.41086055 0.70476401
0.21607353 0.35777585 0.71558160
0.27268894 0.14880823 0.99169610
0.02395298 0.25187833 0.93560271
0.12046092 0.58505235 0.10607704
0.37559950 0.71799840 0.24853843
0.07489684 0.82254583 0.03358172
0.39314001 0.98753736 0.31815758
0.44164517 0.95261484 0.14038012
0.18279359 0.91317418 0.20070643
0.25996487 0.70183894 0.41992212
0.02317726 0.56712588 0.43275033
0.20451663 0.51387261 0.56292125
0.37224823 0.70102831 0.77344263
0.08519704 0.75614220 0.55699860
0.29831149 0.98974982 0.84045080
0.49124913 0.91605485 0.70243127
0.21859252 0.87800454 0.68751078
0.28585441 0.68692887 0.96449987
0.03428395 0.60149022 0.92709081
0.68792593 0.02796780 0.07889135
0.86762386 0.18104140 0.26708297
0.55461095 0.26317996 0.03693411
0.80558436 0.44857635 0.38656350
0.94403336 0.42592274 0.20503508
0.69041135 0.36111241 0.18569254
0.79072699 0.16977746 0.45288313
0.53329221 0.11183265 0.44550037
0.65430083 0.08756236 0.61640488
0.88425468 0.27105325 0.77242943
0.61440230 0.33332851 0.54282406
0.81315199 0.50403783 0.84388773
0.98061776 0.35762694 0.60448936
0.75101665 0.46990630 0.66856922
0.75440525 0.18221648 0.92723348
0.51665648 0.04595905 0.93640497
0.51846556 0.51972251 0.07604872
0.86808196 0.69186556 0.29894455
0.60941951 0.77208402 0.07644491
0.86566958 0.94501047 0.36236477
0.91239798 0.89423302 0.17859516
0.67096123 0.87423729 0.24372564
0.77877596 0.67452659 0.47818071
0.54129306 0.67233976 0.39054184
0.55137876 0.59618667 0.57752058
0.84938747 0.77507001 0.87533319
0.58057839 0.85251874 0.51009015
0.96050865 0.02438476 0.85940881
0.95651158 0.84681335 0.71028220
0.73605477 0.97892119 0.77364121
0.77298874 0.58948961 0.00995440
0.54056254 0.66169401 0.91321272
0.72227541 0.81954584 0.64985106
0.56733027 0.89609514 0.44290981
0.86906261 0.24483264 0.08576332
0.72373564 0.44587585 0.33958789
0.32741625 0.11355274 0.67475941
0.30865792 0.72697606 0.72329443
0.34606446 0.68614980 0.18614310
0.27792921 0.14383440 0.19179031
0.00012881 0.50250042 0.72837690
0.93196425 0.36463720 0.54490936