(SiO2H)8 MD nPT MLFF cont. 2351
1
8.959908 0.461523 0.156077
0.825197 8.960774 0.072081
0.063357 0.068669 10.720800
Si O H
32 64 8
Direct configuration= 1000
0.41341294 0.40502598 0.01384289
0.15525498 0.18394328 0.13497094
0.38633186 0.37233114 0.26047215
0.15281451 0.17501324 0.38286922
0.40298496 0.41914619 0.50706645
0.15812132 0.18782599 0.62687076
0.39289005 0.38995987 0.75397403
0.15929449 0.18979110 0.87739934
0.41145778 0.93387985 0.00213890
0.14505221 0.66775207 0.13522405
0.37415271 0.87862822 0.25564234
0.16097615 0.65214465 0.38292585
0.42574384 0.94617898 0.50026423
0.14257900 0.66639109 0.62133737
0.36428492 0.88139056 0.75111869
0.15804610 0.67023166 0.89317911
0.92774046 0.45599844 0.00376421
0.62447528 0.12141091 0.11035505
0.87526292 0.39531316 0.25395120
0.66149153 0.18196631 0.38548053
0.93118374 0.44308513 0.49769727
0.65324750 0.15722804 0.62688345
0.87175550 0.39640717 0.75585124
0.66458076 0.18716343 0.87791469
0.93894205 0.96224424 -0.00275581
0.62202248 0.62917151 0.11313389
0.92266206 0.92966020 0.26599193
0.68978195 0.70123001 0.36617268
0.94427345 0.94937031 0.51205521
0.62720719 0.62874197 0.61016801
0.89920599 0.91725959 0.75639194
0.68126111 0.70178838 0.85645024
0.06211909 0.08680826 0.51407651
0.29524281 0.48177734 0.12650160
0.47313015 0.26621513 0.12614642
0.22708279 0.26348011 0.00300581
0.08232226 0.07950872 0.26076841
0.29494025 0.48721539 0.38099791
0.47998639 0.27018658 0.38801314
0.24554918 0.25731298 0.26570280
0.04877079 0.09691888 1.01139970
0.28742726 0.49953912 0.62904785
0.48664837 0.28288860 0.63071425
0.24249385 0.24529371 0.50010018
0.07148399 0.13316114 0.75223038
0.29315534 0.50175342 0.88704379
0.48395933 0.28644417 0.89404089
0.24687716 0.29348745 0.76026795
0.05322770 0.57073933 0.50632992
0.30135390 1.01647629 0.12642838
0.49504151 0.81081956 0.13013597
0.23868268 0.74552668 0.01996510
0.05721616 0.60997853 0.25763735
0.30775298 0.99708656 0.37958514
0.50283946 0.82576096 0.37968020
0.25726208 0.75318469 0.25196656
0.04911488 0.58029545 1.01265384
0.31901050 1.02594351 0.64171415
0.47804861 0.80296584 0.62490884
0.23955498 0.72630016 0.50568740
0.06702375 0.58751628 0.75748751
0.28774830 1.01302620 0.87549541
0.48974157 0.82720536 0.87186230
0.23551863 0.75526070 0.76142617
0.56953360 0.04437423 0.51095070
0.80289175 0.50561760 0.12922405
0.99970125 0.32666593 0.13691769
0.71911196 0.23212826 0.01950088
0.60807795 0.05440349 0.25396742
0.82701069 0.53348730 0.36660506
0.99754789 0.32084782 0.37540329
0.74715785 0.28005665 0.27927142
0.54489746 0.04076491 0.99182894
0.79801431 0.50343694 0.62012518
1.00354027 0.34002271 0.63116133
0.71753565 0.26475982 0.51259125
0.60282102 0.07363657 0.76475102
0.82277433 0.52808485 0.87430515
0.97925572 0.32762434 0.88797561
0.73922557 0.28829292 0.76315937
0.53735750 0.53088199 0.51231840
0.77182819 0.95862902 0.07396048
1.00751119 0.84584049 0.13067758
0.72140127 0.72500572 0.00748843
0.59754716 0.61436041 0.25915101
0.81898290 1.02773818 0.39984468
1.02358095 0.84962992 0.38522542
0.77027922 0.81790230 0.27246447
0.54832448 0.52249415 1.00945785
0.82803461 1.03347796 0.63148924
0.97570945 0.80041012 0.61787220
0.72078299 0.73242491 0.51003117
0.61100035 0.61108860 0.75588694
0.83544322 1.05286521 0.87214138
0.99842559 0.81190539 0.90170559
0.75131776 0.82629468 0.76349763
-0.26779548 0.85768376 0.04899858
0.14074060 0.48785578 0.75721021
-0.14082783 1.07108217 0.18133623
0.04283784 0.94998404 0.74482329
0.51975125 0.43588112 0.25387007
0.48288377 0.50728774 0.76074111
0.66191092 0.92769508 0.27145852
0.65521186 0.96444600 0.78270125
(SiO2H)8 MD nPT MLFF cont. 2351
1
9.030986 0.343916 0.039813
0.824585 8.955994 0.039655
0.063101 0.068391 10.677384
Si O H
32 64 8
Direct configuration= 2000
0.38611861 0.42793246 0.00448869
0.14768221 0.18161802 0.13303746
0.35657308 0.40379687 0.25563706
0.15446978 0.18610823 0.38915262
0.39812520 0.42852489 0.50645253
0.15313692 0.19041851 0.63118911
0.38141960 0.39810300 0.76234695
0.14030121 0.19573933 0.88347079
0.40584235 0.95369769 0.00126850
0.14902497 0.68109746 0.13736359
0.36648356 0.90651924 0.26031355
0.15746911 0.68475449 0.38532462
0.42791289 0.95125205 0.50733083
0.14992621 0.66938459 0.61821716
0.35522414 0.88983039 0.76188615
0.14405983 0.67435585 0.89953913
0.92035897 0.46119000 0.00394806
0.60297479 0.18318667 0.12489290
0.86575637 0.39289926 0.25673909
0.63346204 0.18236432 0.37713390
0.91726569 0.46965342 0.49852217
0.65011206 0.18542408 0.62751610
0.85467497 0.40449059 0.74681358
0.65587698 0.18141171 0.88812725
0.93007212 0.96377495 0.01047157
0.60207521 0.63826694 0.10731228
0.92874895 0.95795111 0.27070453
0.67262052 0.72264620 0.35900790
0.94279641 0.96314909 0.51308506
0.61289210 0.64532369 0.59513346
0.90090238 0.92470077 0.75745679
0.67687281 0.70543897 0.84837672
0.06196482 0.09980658 0.51069850
0.26764425 0.50908000 0.13313828
0.44964043 0.30926617 0.12591325
0.21808212 0.26871426 0.01122012
0.07665631 0.09246325 0.26771134
0.28223213 0.50787047 0.38883994
0.46429635 0.30322673 0.38947410
0.23387291 0.26892730 0.26345331
0.04904521 0.09646050 1.01448432
0.28456065 0.50634768 0.62714145
0.47858638 0.30266177 0.63285759
0.22938318 0.27842758 0.50737178
0.07432577 0.12910024 0.75943332
0.27649680 0.51789613 0.89134913
0.48149888 0.30309404 0.89073589
0.24247443 0.28869510 0.76326586
0.04404107 0.59144273 0.49750381
0.28488753 1.03150841 0.12383952
0.47319220 0.82528550 0.12525349
0.22781316 0.76552972 0.00885874
0.06030143 0.61864306 0.26447188
0.30136371 1.02343366 0.38056968
0.49279534 0.83642697 0.37642415
0.25621280 0.76372849 0.25888804
0.04822285 0.58515140 1.01333931
0.29942527 1.01641279 0.64161253
0.48270864 0.82935951 0.62364247
0.23953710 0.75428478 0.50336725
0.06628050 0.60182835 0.74930435
0.28750318 1.02496113 0.88553429
0.47810480 0.83966948 0.87357916
0.24218462 0.75894135 0.76249808
0.55243193 0.06608615 0.50961527
0.79573415 0.51597441 0.11993210
0.98177587 0.32887901 0.13765535
0.70947864 0.25253996 0.01889292
0.57728676 0.08143673 0.26011068
0.81448255 0.54225641 0.36595678
0.97128117 0.33045831 0.39346907
0.72675748 0.28057870 0.26004376
0.53928325 0.06389061 1.00274799
0.77832705 0.51672241 0.62231254
0.98563647 0.35442807 0.63082669
0.71044509 0.27524498 0.49915780
0.58617853 0.08632262 0.76139146
0.80330727 0.53691204 0.87330410
0.98522542 0.33924742 0.87825530
0.72507779 0.29003323 0.75463723
0.51847973 0.55849371 0.50049439
0.75701118 0.95115767 0.08165877
1.01588305 0.85756893 0.13550267
0.69071197 0.73282162 -0.00296297
0.59072796 0.62983219 0.25392120
0.82418440 1.04455045 0.39862206
1.02365467 0.85740052 0.39150890
0.78652548 0.81624563 0.27503189
0.50944323 0.54332775 1.01747136
0.81756013 1.02975622 0.63152928
0.98588212 0.81799242 0.61987115
0.70830965 0.75518711 0.50478713
0.59739748 0.61752678 0.74352748
0.83113027 1.06328818 0.87882750
0.97047956 0.81558918 0.91088815
0.74189898 0.84023863 0.77415054
-0.29843305 0.88370129 0.02525826
0.10653159 0.48548709 0.76600351
-0.13710442 1.07103497 0.18349323
0.06364702 0.91394901 0.76980497
0.47530942 0.49808185 0.25890917
0.47866706 0.49970505 0.78419093
0.75130291 0.86460926 0.19394861
0.65168144 0.98290133 0.76163541
(SiO2H)8 MD nPT MLFF cont. 2351
1
8.971783 0.271160 0.060546
0.825617 8.962681 0.118083
0.063225 0.068526 10.698473
Si O H
32 64 8
Direct configuration= 3000
0.37577576 0.42813995 -0.00796873
0.14783372 0.19348811 0.12146797
0.37230842 0.42079305 0.24601309
0.16593040 0.18643838 0.36824140
0.40427041 0.43706355 0.49165850
0.16218065 0.19264200 0.61763401
0.38256062 0.40869043 0.74384470
0.15503220 0.20127661 0.86707634
0.40128817 0.95078733 -0.01545729
0.15793568 0.68276583 0.12639200
0.38361578 0.90882221 0.23805721
0.15634207 0.68820309 0.36608549
0.44263348 0.95417801 0.48509101
0.14415016 0.68339229 0.60452441
0.35604041 0.89591374 0.73396583
0.15362366 0.67982048 0.87687646
0.93081220 0.46678737 -0.00802924
0.59886786 0.16890516 0.10298189
0.86841659 0.39752697 0.23665560
0.65671768 0.19300083 0.36469554
0.92898241 0.46807576 0.47688942
0.65734323 0.18586479 0.61455887
0.86544128 0.41926139 0.73072523
0.66042857 0.18688611 0.86360569
0.94088603 0.96827834 -0.00440503
0.60438859 0.63491494 0.08301384
0.92796024 0.96081027 0.25440066
0.70243703 0.70376062 0.34592891
0.94682513 0.98190045 0.49385105
0.63775485 0.65663975 0.58733507
0.90891160 0.93732914 0.74757065
0.70344959 0.70019108 0.83169880
0.07462042 0.09720603 0.49605828
0.27055753 0.51828875 0.12147575
0.47113725 0.32222496 0.11647367
0.22841277 0.27466455 -0.00766960
0.08274419 0.09977282 0.24867018
0.27009557 0.51780619 0.37422294
0.47727113 0.31682266 0.37400673
0.24493041 0.27254417 0.24221015
0.04702829 0.11322337 1.00241425
0.28269877 0.51617413 0.61214518
0.48064486 0.31384343 0.62008850
0.24834516 0.26180836 0.49311101
0.06476673 0.15106018 0.74019139
0.26054187 0.51286177 0.87194392
0.46647558 0.30542665 0.87942062
0.24044432 0.28944259 0.74848134
0.04630323 0.60351847 0.48355269
0.30254831 1.02909193 0.11560342
0.48108999 0.83316549 0.10614186
0.22938450 0.76992836 -0.00913205
0.06616578 0.62685862 0.24192338
0.31484753 1.02563259 0.36180040
0.51410523 0.85910244 0.35823054
0.26497276 0.77000611 0.23790285
0.04170559 0.60543933 0.99768122
0.30678733 1.03455333 0.62647471
0.48684215 0.83607358 0.60233846
0.25090662 0.74315392 0.49481520
0.04285110 0.59391147 0.73056110
0.28065521 1.03347840 0.86279174
0.46714887 0.84089083 0.85241487
0.23537824 0.74716702 0.74030519
0.57105969 0.07230020 0.49246689
0.78723311 0.51258031 0.10263984
0.99398232 0.34684591 0.11321632
0.71456145 0.24347222 0.01151354
0.60047198 0.08400646 0.23464196
0.82351306 0.54311898 0.35512264
0.98586172 0.33813666 0.36804233
0.72433981 0.30786166 0.25410256
0.53708251 0.07934645 0.98500407
0.79608521 0.52861077 0.60663379
0.98144676 0.34821185 0.60604179
0.72354644 0.28293242 0.49519672
0.58499347 0.08582635 0.73229157
0.81549626 0.53671748 0.85908185
0.98120494 0.35300110 0.86836776
0.73299731 0.29663776 0.74500694
0.53175940 0.57667567 0.48755889
0.77361478 0.95622654 0.05751370
1.02157003 0.87183225 0.13189832
0.69176755 0.73593159 -0.01859068
0.61029581 0.65413189 0.23125967
0.84060928 1.05770652 0.38004878
1.01689292 0.84969882 0.37968243
0.78675266 0.83646158 0.26324111
0.50633451 0.54966756 0.99695103
0.83268269 1.05006664 0.61928757
0.98103719 0.82995396 0.60167572
0.72774193 0.75810225 0.48817173
0.59828908 0.63098824 0.73139970
0.83439832 1.05096160 0.86301041
0.98176599 0.83362629 0.89065187
0.76356533 0.82863012 0.75119690
-0.28694613 0.90871827 -0.00589039
0.10179318 0.49431948 0.74168760
-0.14729917 1.08962977 0.17323195
0.07271329 0.93732753 0.76048388
0.49777220 0.50776121 0.24167962
0.45821437 0.52965798 0.76850766
0.75171653 0.86548168 0.16907179
0.63813395 0.96916026 0.73170996
(SiO2H)8 MD nPT MLFF cont. 2351
1
9.014095 0.212305 0.077839
0.826178 8.964050 0.199784
0.063206 0.068505 10.695137
Si O H
32 64 8
Direct configuration= 4000
0.37120294 0.43270387 -0.01751084
0.15304570 0.20030981 0.10646270
0.37407358 0.42616689 0.23436759
0.15734162 0.19878474 0.35847357
0.39793012 0.43812803 0.48069349
0.15153907 0.19861999 0.60571304
0.37425001 0.41021881 0.72249613
0.15126788 0.19602690 0.85052576
0.40614335 0.95523315 -0.03220773
0.13574022 0.67922007 0.11070516
0.37123531 0.90262945 0.22962570
0.14930793 0.68497125 0.35589258
0.43158666 0.97087442 0.48134352
0.14360635 0.68776040 0.59050668
0.37746905 0.91559516 0.72662854
0.15615811 0.69128457 0.86043795
0.92158802 0.46379692 -0.02238569
0.63171171 0.24355864 0.12341323
0.87484053 0.41962798 0.22934164
0.65026170 0.19768356 0.35673592
0.92144761 0.46021235 0.46944079
0.64368143 0.19959855 0.60400109
0.85511627 0.41764248 0.72063732
0.63427931 0.18145617 0.85783120
0.95343589 0.96099801 -0.02445317
0.59445546 0.65496755 0.07623521
0.93085959 0.96624597 0.23678651
0.68602153 0.74546577 0.32792599
0.93828961 0.97721007 0.48244916
0.62688415 0.65093295 0.57008905
0.88803527 0.96119172 0.73415640
0.68884557 0.70966809 0.82268114
0.07295214 0.09343853 0.49121011
0.26114088 0.51860767 0.11188173
0.46133792 0.32720383 0.10003196
0.23174275 0.27845799 -0.02648407
0.06824335 0.11555723 0.23540777
0.28991834 0.51801542 0.35926176
0.47512624 0.31564852 0.35686167
0.24068034 0.28399381 0.23349143
0.05389647 0.10758948 0.97763257
0.28424852 0.52235573 0.60487775
0.46418757 0.31379460 0.59745150
0.22953861 0.28186881 0.48190084
0.06109278 0.14451417 0.72940749
0.26930900 0.52730019 0.86161999
0.46601657 0.31399630 0.86075099
0.22586006 0.31010412 0.73300069
0.06367366 0.57975791 0.47650694
0.30425020 1.03391992 0.10230226
0.48516328 0.83089824 0.09769095
0.22617310 0.76420237 -0.01826936
0.04656291 0.62604207 0.24474380
0.31359675 1.02614721 0.35893643
0.49900024 0.85865772 0.34990751
0.24849530 0.77632244 0.23594873
0.02875327 0.60789592 0.98959391
0.31050315 1.04204154 0.61567713
0.48849782 0.84530184 0.59480395
0.24533998 0.75240335 0.47224702
0.05913945 0.61000699 0.73595839
0.29285286 1.03101817 0.84899448
0.48514053 0.84063080 0.85181076
0.23482631 0.78353427 0.72342201
0.56926215 0.08072357 0.46654913
0.78604693 0.50011058 0.08929895
1.00419845 0.34970938 0.10781804
0.70760482 0.26318117 -0.01080627
0.59886755 0.10869967 0.22046382
0.81288494 0.53833643 0.34545869
0.98932741 0.33846429 0.35805703
0.72762605 0.31141818 0.24056631
0.54658092 0.06446499 0.96820932
0.79392424 0.53463521 0.58439656
0.98472745 0.35240475 0.59878913
0.72377965 0.27912505 0.48322780
0.58700645 0.09753435 0.73179486
0.80600527 0.53622660 0.83437400
0.97848695 0.35394758 0.85574050
0.73024609 0.29857260 0.72024872
0.53530976 0.54976843 0.48548508
0.77844382 0.93052542 0.03405350
1.01935453 0.86517503 0.11060106
0.69026799 0.72823071 -0.03442876
0.61352588 0.64181764 0.22807317
0.83396145 1.06407294 0.36569467
1.01699017 0.86761115 0.36042990
0.79680739 0.83835977 0.24450583
0.49883516 0.55502976 0.99299920
0.81130421 1.03132884 0.59465351
0.96736289 0.80009786 0.55932387
0.72320484 0.75384931 0.47540514
0.59767135 0.64040263 0.71810488
0.82330395 1.05798531 0.85273025
1.01375764 0.85344015 0.86436222
0.78277432 0.81889319 0.73447098
-0.32628013 0.97876652 0.00024268
0.11186532 0.50486110 0.72975970
-0.15113231 1.08319877 0.15355315
0.03680462 0.93879674 0.68067122
0.48514441 0.51382902 0.23267007
0.47473584 0.51564394 0.73881595
0.75790846 0.87855176 0.13516395
0.88162509 0.77501600 0.61031336