iterations/neb0_image03_iter39_CONTCAR output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running

No title                                
   1.00000000000000     
     9.7443200000000001    0.0000000000000000    0.0000000000000000
     0.0000000000000000    9.7443200000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   23.4276799999999987
   Si   O    H 
    31    70    16
Selective dynamics
Direct
  0.1272922599999973  0.1283990100000025  0.3858756799999981   F   F   F
  0.3729614100000020  0.1222975599999998  0.3070114200000020   F   F   F
  0.3019461800000016  0.0874348600000019  0.6085077400000003   T   T   T
  0.0996714699999970  0.3958424799999989  0.1495361699999975   F   F   F
  0.0926673100000031  0.3802965799999996  0.4624270699999968   F   F   F
  0.3507107300000030  0.3691844800000013  0.2284893599999975   F   F   F
  0.3445162000000010  0.3461434800000021  0.5364416299999988   T   T   T
  0.1280975700000013  0.6295234700000023  0.3818338100000034   F   F   F
  0.3788542500000034  0.6225934599999974  0.3065219300000024   F   F   F
  0.3372044299999999  0.5888465900000028  0.6201535300000032   T   T   T
  0.1127581300000031  0.8943571599999984  0.1464431799999986   F   F   F
  0.0875294200000027  0.8743286899999987  0.4634238100000019   F   F   F
  0.3588621600000010  0.8700882099999987  0.2283546999999970   F   F   F
  0.3460720799999990  0.8369953300000006  0.5395713999999998   T   T   T
  0.6240375499999971  0.1715344200000004  0.3865896100000015   F   F   F
  0.8687083900000019  0.0972473400000027  0.3080610499999992   F   F   F
  0.8135836800000007  0.1220180299999996  0.6167973200000034   T   T   T
  0.5959080499999985  0.3673447899999971  0.1483982299999980   F   F   F
  0.5992611100000005  0.4230242100000012  0.4608454299999991   F   F   F
  0.8461437599999968  0.3458927699999990  0.2293470600000020   F   F   F
  0.8378361500000011  0.3530271200000001  0.5359116099999994   T   T   T
  0.6314162500000009  0.6771602500000000  0.3850056100000003   F   F   F
  0.8751058400000034  0.6029641200000029  0.3049351100000024   F   F   F
  0.8209909500000023  0.6570145800000020  0.6501638100000022   T   T   T
  0.6032146399999974  0.8678704000000010  0.1474606199999968   F   F   F
  0.5892813000000032  0.9232164200000028  0.4630859000000029   F   F   F
  0.8562413499999977  0.8486443899999969  0.2262954500000021   F   F   F
  0.8412174799999974  0.8565148599999972  0.5444541099999967   T   T   T
  0.9656613699999994  0.3868157400000030  0.6508572799999968   T   T   T
  0.5417486600000032  0.2133017000000024  0.6485452699999996   T   T   T
  0.5749847499999987  0.5074406199999970  0.6961050000000029   T   T   T
  0.0707140900000027  0.0155558200000030  0.1032133100000010   F   F   F
  0.0806286600000021  0.0290745400000034  0.4383496100000031   F   F   F
  0.3006002799999976  0.2410957800000020  0.2682756499999996   F   F   F
  0.3012684699999966  0.1862460099999979  0.5519876099999976   T   T   T
  0.1535439800000020  0.2690150600000010  0.1074624999999969   F   F   F
  0.1553137200000023  0.2769086699999974  0.4148506499999982   F   F   F
  0.4173003000000008  0.4899151899999978  0.2677530699999977   F   F   F
  0.3595507400000031  0.4353716999999975  0.5954573499999967   T   T   T
  0.4643120499999966  0.3092619000000028  0.1839529800000008   F   F   F
  0.4475712699999974  0.3752725100000021  0.4805222700000016   F   F   F
  0.2218453099999991  0.4358458299999981  0.1942679799999993   F   F   F
  0.1977434200000019  0.4068575200000026  0.5135435999999984   T   T   T
  0.2664698500000000  0.0705962700000029  0.3561613999999977   F   F   F
  0.1505336299999982  0.0712013400000018  0.6369749300000009   T   T   T
  0.0131433999999970  0.1450372299999998  0.3359934599999974   F   F   F
  0.8955733800000019  0.2311750699999990  0.6584772799999996   T   T   T
  0.0499184700000015  0.5206743999999972  0.1095765199999974   F   F   F
  0.0700298799999999  0.5274303500000030  0.4311341100000021   F   F   F
  0.3074531600000014  0.7424949700000028  0.2680991900000009   F   F   F
  0.3842971999999989  0.6881080900000001  0.5666798299999982   T   T   T
  0.1649321499999985  0.7629563699999977  0.1065210399999970   F   F   F
  0.1431751399999968  0.7786286600000025  0.4119921799999986   F   F   F
  0.4208846900000012  0.9925865000000016  0.2681667499999989   F   F   F
  0.3756223899999966  0.9442279299999967  0.5912587999999985   T   T   T
  0.4757297700000009  0.8097417800000031  0.1854605799999973   F   F   F
  0.4389709800000006  0.8705802100000000  0.4835049799999993   F   F   F
  0.2326509700000017  0.9353215399999968  0.1920386399999998   F   F   F
  0.1870078199999980  0.8618722000000005  0.5194674000000035   T   T   T
  0.2762136799999979  0.5777090099999995  0.3582888800000035   F   F   F
  0.0278600299999994  0.6426468000000014  0.3268527999999975   F   F   F
  0.9237434599999972  0.5375944000000032  0.6793489599999987   T   T   T
  0.5571032400000036  0.9881545000000003  0.1043820000000011   F   F   F
  0.5746805599999973  0.0806017199999971  0.4413685399999991   F   F   F
  0.8165686099999974  0.1952576699999966  0.2563575400000033   F   F   F
  0.7850444899999971  0.2007143399999975  0.5560488400000025   T   T   T
  0.6496302099999980  0.2371674299999995  0.1081451200000032   F   F   F
  0.6579474099999985  0.3250345000000010  0.4100797999999983   F   F   F
  0.8782154299999974  0.4452316499999966  0.2834268200000025   F   F   F
  0.9222368900000006  0.4288564200000025  0.5858651100000003   T   T   T
  0.9742545399999969  0.3296652800000004  0.1857636000000014   F   F   F
  0.9455939599999965  0.3268387099999970  0.4869939700000003   F   F   F
  0.7154035000000007  0.4056549499999988  0.1944177000000025   F   F   F
  0.7053772000000009  0.4357290100000029  0.5143764800000028   T   T   T
  0.7579404299999979  0.0978471299999981  0.3596974299999971   F   F   F
  0.6677292299999991  0.0982453000000021  0.6507843500000021   T   T   T
  0.5073964099999984  0.1863024100000032  0.3377911700000027   F   F   F
  0.3926546300000027  0.1477823900000033  0.6618759500000024   T   T   T
  0.5533356500000011  0.4893475499999980  0.1055892899999975   F   F   F
  0.5870044699999966  0.5793721599999984  0.4379384400000035   F   F   F
  0.8252933200000001  0.6960363099999967  0.2512985899999975   F   F   F
  0.8400505700000025  0.7191516500000006  0.5849570800000023   T   T   T
  0.6537460999999993  0.7362151100000034  0.1073812699999976   F   F   F
  0.6475791299999969  0.8310700899999972  0.4108009799999977   F   F   F
  0.8887038100000026  0.9449593900000011  0.2814432500000024   F   F   F
  0.8868054799999996  0.9789649100000020  0.5936332799999988   T   T   T
  0.9842422899999974  0.8349674099999973  0.1827362200000024   F   F   F
  0.9357899500000002  0.8289468400000004  0.4858777500000002   F   F   F
  0.7259103999999965  0.9098842399999967  0.1915033800000003   F   F   F
  0.6927490100000000  0.9065154700000022  0.5191744500000013   T   T   T
  0.7753561399999995  0.6223722300000034  0.3596470800000020   F   F   F
  0.6744486199999997  0.5773344400000013  0.6480116500000008   T   T   T
  0.5193217400000023  0.6817928400000000  0.3340865300000004   F   F   F
  0.4289138899999969  0.5844900900000027  0.6803858600000012   T   T   T
  0.5629774699999999  0.3408302899999995  0.6911949599999971   T   T   T
  0.5410973500000011  0.2663908999999975  0.5816835099999977   T   T   T
  0.8284938099999977  0.7778039399999983  0.6985677699999968   T   T   T
  0.1219428200000010  0.3656987199999975  0.6730926500000010   T   T   T
  0.1826428899999968  0.6453700100000006  0.6320420500000026   T   T   T
  0.6422407399999983  0.5229132699999965  0.7605413599999977   T   T   T
  0.4006361900000002  0.6650679099999977  0.7901407499999991   T   T   T
  0.1022923599999999  0.1124124700000024  0.1073217900000003   F   F   F
  0.1988654000000025  0.2981679499999998  0.0726012000000011   F   F   F
  0.0950805599999995  0.6124516300000025  0.1096167500000007   F   F   F
  0.2091793499999994  0.7884780999999990  0.0709198500000028   F   F   F
  0.5914970899999972  0.0842832499999986  0.1080990999999969   F   F   F
  0.6882405500000033  0.2644162599999973  0.0716420700000029   F   F   F
  0.5917674000000019  0.5839855500000013  0.1083711100000002   F   F   F
  0.6937292599999978  0.7621503200000035  0.0709653799999970   F   F   F
  0.6156360599999999  0.2263336299999992  0.5589572200000035   T   T   T
  0.0805127300000024  0.0138148500000028  0.6191335500000008   T   T   T
  0.7685469600000019  0.8570467099999988  0.6948942599999981   T   T   T
  0.1493486199999978  0.2690150999999972  0.6749840299999974   T   T   T
  0.1237452000000019  0.6119027800000012  0.6624767300000016   T   T   T
  0.7417317700000012  0.5319898799999976  0.7634591899999990   T   T   T
  0.4881403699999964  0.6174111099999990  0.7977538000000024   T   T   T
  0.3921217400000003  0.6662013099999982  0.7485196299999970   T   T   T
 
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