iterations/neb0_image05_iter10_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
  0.1254586399999980  0.1294406100000032  0.3860151200000033   F   F   F
  0.3711277900000027  0.1233391600000004  0.3071508600000001   F   F   F
  0.3033228999999977  0.0885516100000032  0.6090380099999990   T   T   T
  0.0978378499999977  0.3968840799999995  0.1496756100000027   F   F   F
  0.0908336899999966  0.3813381800000002  0.4625665100000020   F   F   F
  0.3488771099999965  0.3702260800000019  0.2286288000000027   F   F   F
  0.3429046199999988  0.3474331000000035  0.5365467299999978   T   T   T
  0.1262639500000020  0.6305650700000029  0.3819732500000015   F   F   F
  0.3770206299999970  0.6236350599999980  0.3066613700000005   F   F   F
  0.3252923699999997  0.5936870499999998  0.6169702500000014   T   T   T
  0.1109245099999967  0.8953987599999991  0.1465826199999967   F   F   F
  0.0856958000000034  0.8753702899999993  0.4635632500000000   F   F   F
  0.3570285400000017  0.8711298099999993  0.2284941400000022   F   F   F
  0.3430446200000006  0.8400598799999983  0.5389578400000019   T   T   T
  0.6222039299999977  0.1725760200000011  0.3867290499999996   F   F   F
  0.8668747700000026  0.0982889400000033  0.3082004899999973   F   F   F
  0.8135955799999977  0.1215045799999999  0.6167157900000007   T   T   T
  0.5940744299999992  0.3683863899999977  0.1485376700000032   F   F   F
  0.5974274900000012  0.4240658100000019  0.4609848699999972   F   F   F
  0.8443101399999975  0.3469343699999996  0.2294865000000001   F   F   F
  0.8358017300000000  0.3529747099999980  0.5359609100000000   T   T   T
  0.6295826300000016  0.6782018500000007  0.3851450499999984   F   F   F
  0.8732722199999969  0.6040057200000035  0.3050745500000005   F   F   F
  0.8185908000000026  0.6571371300000024  0.6513263000000009   T   T   T
  0.6013810199999980  0.8689120000000017  0.1476000600000020   F   F   F
  0.5874476799999968  0.9242580200000035  0.4632253400000010   F   F   F
  0.8544077299999984  0.8496859899999976  0.2264348900000002   F   F   F
  0.8388425300000009  0.8558382300000034  0.5447112499999989   T   T   T
  0.9651537000000019  0.3870597599999996  0.6506307699999994   T   T   T
  0.5432503899999972  0.2131905900000035  0.6496871499999983   T   T   T
  0.5747257900000022  0.5093168399999968  0.7055545799999976   T   T   T
  0.0688804700000034  0.0165974199999965  0.1033527499999991   F   F   F
  0.0787950400000028  0.0301161399999970  0.4384890500000012   F   F   F
  0.2987666599999983  0.2421373800000026  0.2684150899999977   F   F   F
  0.3026548300000016  0.1870960999999980  0.5523396700000021   T   T   T
  0.1517103600000027  0.2700566600000016  0.1076019400000021   F   F   F
  0.1534801000000030  0.2779502699999981  0.4149900900000034   F   F   F
  0.4154666800000015  0.4909567899999985  0.2678925100000029   F   F   F
  0.3569371199999978  0.4387518099999994  0.5951249399999980   T   T   T
  0.4624784299999973  0.3103035000000034  0.1840924199999989   F   F   F
  0.4457376499999981  0.3763141100000027  0.4806617099999997   F   F   F
  0.2200116899999998  0.4368874299999987  0.1944074199999974   F   F   F
  0.1956521800000033  0.4066631399999991  0.5137438300000028   T   T   T
  0.2646362300000007  0.0716378700000035  0.3563008400000029   F   F   F
  0.1515500599999982  0.0718319699999981  0.6374123900000015   T   T   T
  0.0113097799999977  0.1460788300000004  0.3361329000000026   F   F   F
  0.8964651000000003  0.2303377900000001  0.6581911700000020   T   T   T
  0.0480848500000022  0.5217159999999978  0.1097159600000026   F   F   F
  0.0681962600000006  0.5284719499999966  0.4312735500000002   F   F   F
  0.3056195400000021  0.7435365700000034  0.2682386299999990   F   F   F
  0.3767871599999992  0.6872908599999974  0.5623585800000015   T   T   T
  0.1630985299999992  0.7639979699999984  0.1066604800000022   F   F   F
  0.1413415199999974  0.7796702600000032  0.4121316199999967   F   F   F
  0.4190510700000019  0.9936281000000022  0.2683061899999970   F   F   F
  0.3749152899999970  0.9440452199999996  0.5915589800000021   T   T   T
  0.4738961500000016  0.8107833799999966  0.1856000200000025   F   F   F
  0.4371373600000013  0.8716218100000006  0.4836444199999974   F   F   F
  0.2308173500000024  0.9363631399999974  0.1921780799999979   F   F   F
  0.1842687400000003  0.8651412099999973  0.5195948200000018   T   T   T
  0.2743800599999986  0.5787506100000002  0.3584283200000016   F   F   F
  0.0260264100000001  0.6436884000000020  0.3269922400000027   F   F   F
  0.9253739999999979  0.5393866000000003  0.6787597200000022   T   T   T
  0.5552696199999971  0.9891961000000009  0.1045214399999992   F   F   F
  0.5728469399999980  0.0816433199999977  0.4415079799999972   F   F   F
  0.8147349899999980  0.1962992699999973  0.2564969800000014   F   F   F
  0.7835945599999974  0.2003994700000007  0.5559615499999992   T   T   T
  0.6477965899999987  0.2382090300000002  0.1082845600000013   F   F   F
  0.6561137899999991  0.3260761000000016  0.4102192400000035   F   F   F
  0.8763818099999980  0.4462732499999973  0.2835662600000006   F   F   F
  0.9198516399999974  0.4283887400000026  0.5859038700000028   T   T   T
  0.9724209199999976  0.3307068800000010  0.1859030399999995   F   F   F
  0.9437603399999972  0.3278803099999976  0.4871334099999984   F   F   F
  0.7135698800000014  0.4066965499999995  0.1945571400000006   F   F   F
  0.7034090200000023  0.4360271199999985  0.5145369900000034   T   T   T
  0.7561068099999986  0.0988887299999988  0.3598368700000023   F   F   F
  0.6682102199999989  0.0973648599999990  0.6509983400000010   T   T   T
  0.5055627899999990  0.1873440099999968  0.3379306100000008   F   F   F
  0.3932180799999969  0.1494306299999977  0.6624262099999996   T   T   T
  0.5515020300000018  0.4903891499999986  0.1057287300000027   F   F   F
  0.5851708499999972  0.5804137599999990  0.4380778800000016   F   F   F
  0.8234597000000008  0.6970779099999973  0.2514380300000028   F   F   F
  0.8329441500000030  0.7183484600000014  0.5855615899999975   T   T   T
  0.6519124800000000  0.7372567099999969  0.1075207100000029   F   F   F
  0.6457455099999976  0.8321116899999979  0.4109404200000029   F   F   F
  0.8868701900000033  0.9460009900000017  0.2815826900000005   F   F   F
  0.8862548999999973  0.9779033900000016  0.5935300100000021   T   T   T
  0.9824086699999981  0.8360090099999979  0.1828756600000006   F   F   F
  0.9339563300000009  0.8299884400000010  0.4860171899999983   F   F   F
  0.7240767799999972  0.9109258399999973  0.1916428199999984   F   F   F
  0.6908365600000010  0.9070168800000005  0.5192456600000028   T   T   T
  0.7735225200000002  0.6234138299999969  0.3597865200000001   F   F   F
  0.6706884800000026  0.5777927000000034  0.6524329100000017   T   T   T
  0.5174881200000030  0.6828344400000006  0.3342259699999985   F   F   F
  0.4074134800000024  0.6073259899999996  0.6800489999999968   T   T   T
  0.5654940399999973  0.3383620600000015  0.6946721400000015   T   T   T
  0.5421799900000011  0.2699973900000003  0.5835716400000024   T   T   T
  0.8291544300000027  0.7795128899999995  0.6987711700000006   T   T   T
  0.1211815300000012  0.3659103900000034  0.6731812200000036   T   T   T
  0.1657594200000005  0.6464271800000034  0.6257483500000021   T   T   T
  0.6850560199999975  0.4857100199999991  0.7646289199999998   T   T   T
  0.4348753000000016  0.6394472100000002  0.7784363999999968   T   T   T
  0.1004587400000005  0.1134540700000031  0.1074612299999984   F   F   F
  0.1970317800000032  0.2992095500000005  0.0727406399999992   F   F   F
  0.0932469400000002  0.6134932300000031  0.1097561899999988   F   F   F
  0.2073457300000001  0.7895196999999996  0.0710592900000009   F   F   F
  0.5896634699999979  0.0853248499999992  0.1082385400000021   F   F   F
  0.6864069299999969  0.2654578599999979  0.0717815100000010   F   F   F
  0.5899337800000026  0.5850271500000019  0.1085105499999983   F   F   F
  0.6918956399999985  0.7631919199999970  0.0711048200000022   F   F   F
  0.6146513200000001  0.2282319799999968  0.5603181500000005   T   T   T
  0.0817817599999984  0.0147830399999975  0.6190433200000030   T   T   T
  0.7680250700000002  0.8575650000000010  0.6948728899999992   T   T   T
  0.1482791199999980  0.2693328300000033  0.6746446000000006   T   T   T
  0.1183746299999981  0.6132734999999983  0.6599227100000036   T   T   T
  0.7800252299999997  0.5235062200000016  0.7700812900000003   T   T   T
  0.5035007399999998  0.6021178199999966  0.8073845099999986   T   T   T
  0.3726880700000024  0.6774466299999986  0.7316917400000023   T   T   T
 
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