iterations/neb0_image06_iter21_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
  0.1245418299999983  0.1299614099999999  0.3860848400000023   F   F   F
  0.3702109800000031  0.1238599599999972  0.3072205799999992   F   F   F
  0.3028197399999968  0.0882673500000024  0.6088543799999968   T   T   T
  0.0969210399999980  0.3974048800000034  0.1497453300000018   F   F   F
  0.0899168799999970  0.3818589799999970  0.4626362300000011   F   F   F
  0.3479602999999969  0.3707468799999987  0.2286985200000018   F   F   F
  0.3434620700000011  0.3490478300000035  0.5375939500000015   T   T   T
  0.1253471400000024  0.6310858699999997  0.3820429700000005   F   F   F
  0.3761038199999973  0.6241558600000019  0.3067310899999995   F   F   F
  0.3234594500000014  0.5970025100000029  0.6178456399999988   T   T   T
  0.1100076999999970  0.8959195600000029  0.1466523400000028   F   F   F
  0.0847789899999967  0.8758910900000032  0.4636329699999990   F   F   F
  0.3561117300000021  0.8716506100000032  0.2285638600000013   F   F   F
  0.3428117699999973  0.8395206499999972  0.5390989799999986   T   T   T
  0.6212871199999981  0.1730968199999978  0.3867987699999986   F   F   F
  0.8659579600000029  0.0988097400000001  0.3082702100000034   F   F   F
  0.8135989900000027  0.1218314699999965  0.6168056400000026   T   T   T
  0.5931576199999995  0.3689071900000016  0.1486073900000022   F   F   F
  0.5965106800000015  0.4245866099999986  0.4610545900000034   F   F   F
  0.8433933299999978  0.3474551700000035  0.2295562199999992   F   F   F
  0.8347912099999988  0.3532552100000004  0.5361295699999999   T   T   T
  0.6286658200000019  0.6787226499999974  0.3852147699999975   F   F   F
  0.8723554099999973  0.6045265200000003  0.3051442699999996   F   F   F
  0.8128616899999983  0.6549798799999991  0.6517880199999979   T   T   T
  0.6004642099999984  0.8694327999999985  0.1476697800000011   F   F   F
  0.5865308699999972  0.9247788200000002  0.4632950600000001   F   F   F
  0.8534909199999987  0.8502067900000014  0.2265046099999992   F   F   F
  0.8380656300000027  0.8561621799999983  0.5449170999999993   T   T   T
  0.9644704000000033  0.3873799099999999  0.6508377700000025   T   T   T
  0.5428732700000012  0.2196945999999969  0.6515057900000016   T   T   T
  0.5750430800000004  0.5180166299999982  0.7161362300000036   T   T   T
  0.0679636599999967  0.0171182200000004  0.1034224699999982   F   F   F
  0.0778782300000032  0.0306369400000008  0.4385587700000002   F   F   F
  0.2978498499999986  0.2426581799999994  0.2684848099999968   F   F   F
  0.3029542700000007  0.1876780699999969  0.5524064800000019   T   T   T
  0.1507935500000031  0.2705774599999984  0.1076716600000012   F   F   F
  0.1525632900000033  0.2784710700000019  0.4150598100000025   F   F   F
  0.4145498700000019  0.4914775900000024  0.2679622300000020   F   F   F
  0.3575052300000010  0.4422780900000021  0.5967082499999989   T   T   T
  0.4615616199999977  0.3108243000000002  0.1841621399999980   F   F   F
  0.4448208399999984  0.3768349099999995  0.4807314299999987   F   F   F
  0.2190948800000001  0.4374082300000026  0.1944771399999965   F   F   F
  0.1955882399999993  0.4069018499999970  0.5139736699999986   T   T   T
  0.2637194200000010  0.0721586700000003  0.3563705600000020   F   F   F
  0.1509192799999965  0.0720227400000013  0.6373245199999999   T   T   T
  0.0103929699999981  0.1465996299999972  0.3362026200000017   F   F   F
  0.8964670299999966  0.2307705600000034  0.6581753500000005   T   T   T
  0.0471680400000025  0.5222368000000017  0.1097856800000017   F   F   F
  0.0672794500000009  0.5289927500000005  0.4313432699999993   F   F   F
  0.3047027300000025  0.7440573700000002  0.2683083499999981   F   F   F
  0.3771021299999973  0.6877156700000029  0.5634250000000023   T   T   T
  0.1621817199999995  0.7645187700000022  0.1067302000000012   F   F   F
  0.1404247099999978  0.7801910599999999  0.4122013400000029   F   F   F
  0.4181342600000022  0.9941488999999990  0.2683759100000032   F   F   F
  0.3745749300000014  0.9437046999999978  0.5915419999999969   T   T   T
  0.4729793400000020  0.8113041800000005  0.1856697400000016   F   F   F
  0.4362205500000016  0.8721426099999974  0.4837141400000036   F   F   F
  0.2299005400000027  0.9368839400000013  0.1922477999999970   F   F   F
  0.1839399799999981  0.8651418099999972  0.5196280400000006   T   T   T
  0.2734632499999989  0.5792714099999969  0.3584980400000006   F   F   F
  0.0251096000000004  0.6442091999999988  0.3270619600000018   F   F   F
  0.9258251799999968  0.5398627200000021  0.6788044500000012   T   T   T
  0.5543528099999975  0.9897168999999977  0.1045911599999982   F   F   F
  0.5719301299999984  0.0821641200000016  0.4415777000000034   F   F   F
  0.8138181799999984  0.1968200700000011  0.2565667000000005   F   F   F
  0.7835589299999981  0.2002102000000008  0.5559539899999990   T   T   T
  0.6468797799999990  0.2387298299999969  0.1083542800000004   F   F   F
  0.6551969799999995  0.3265968999999984  0.4102889600000026   F   F   F
  0.8754649999999984  0.4467940500000012  0.2836359799999997   F   F   F
  0.9197720700000005  0.4288194700000005  0.5859267299999971   T   T   T
  0.9715041099999979  0.3312276799999978  0.1859727599999985   F   F   F
  0.9428435299999975  0.3284011100000015  0.4872031299999975   F   F   F
  0.7126530700000018  0.4072173500000034  0.1946268599999996   F   F   F
  0.7027734600000031  0.4362775600000006  0.5143810000000002   T   T   T
  0.7551899999999989  0.0994095300000026  0.3599065900000014   F   F   F
  0.6674652000000023  0.0975652799999978  0.6510746399999974   T   T   T
  0.5046459799999994  0.1878648100000007  0.3380003299999998   F   F   F
  0.3933003100000008  0.1480533800000003  0.6624356700000007   T   T   T
  0.5505852200000021  0.4909099500000025  0.1057984500000018   F   F   F
  0.5842540399999976  0.5809345600000029  0.4381476000000006   F   F   F
  0.8225428900000011  0.6975987100000012  0.2515077500000018   F   F   F
  0.8329609399999995  0.7181055400000034  0.5857095799999996   T   T   T
  0.6509956700000004  0.7377775100000008  0.1075904300000019   F   F   F
  0.6448286999999979  0.8326324900000017  0.4110101400000019   F   F   F
  0.8859533799999966  0.9465217899999985  0.2816524099999995   F   F   F
  0.8862118500000022  0.9784598399999993  0.5935318100000018   T   T   T
  0.9814918599999984  0.8365298100000018  0.1829453799999996   F   F   F
  0.9330395200000012  0.8305092399999978  0.4860869099999974   F   F   F
  0.7231599699999975  0.9114466400000012  0.1917125399999975   F   F   F
  0.6901527500000029  0.9073600999999982  0.5191203500000015   T   T   T
  0.7726057100000006  0.6239346300000008  0.3598562399999992   F   F   F
  0.6611261600000020  0.5787640599999975  0.6562368900000024   T   T   T
  0.5165713100000033  0.6833552399999974  0.3342956899999976   F   F   F
  0.4025932799999978  0.6144402400000004  0.6788405400000030   T   T   T
  0.5573229900000030  0.3494568699999974  0.6948766800000001   T   T   T
  0.5416782400000031  0.2701997799999987  0.5835592600000012   T   T   T
  0.8301816299999984  0.7799765899999969  0.6989100999999991   T   T   T
  0.1212952599999966  0.3659136799999985  0.6729010700000018   T   T   T
  0.1654695499999974  0.6463690300000025  0.6258632300000002   T   T   T
  0.6921027599999974  0.4818721700000026  0.7648113600000030   T   T   T
  0.4699677699999967  0.6100460999999981  0.7703113600000009   T   T   T
  0.0995419300000009  0.1139748699999998  0.1075309499999975   F   F   F
  0.1961149699999964  0.2997303499999973  0.0728103599999983   F   F   F
  0.0923301300000006  0.6140140299999999  0.1098259099999979   F   F   F
  0.2064289200000005  0.7900405000000035  0.0711290099999999   F   F   F
  0.5887466599999982  0.0858456500000031  0.1083082600000012   F   F   F
  0.6854901199999972  0.2659786600000018  0.0718512300000000   F   F   F
  0.5890169700000030  0.5855479499999987  0.1085802699999974   F   F   F
  0.6909788299999988  0.7637127200000009  0.0711745400000012   F   F   F
  0.6148014300000000  0.2284303400000027  0.5602929599999982   T   T   T
  0.0813656600000030  0.0149994599999985  0.6189711000000031   T   T   T
  0.7681452899999996  0.8578186100000025  0.6950222800000034   T   T   T
  0.1482884200000001  0.2690487599999969  0.6745066300000033   T   T   T
  0.1165435400000021  0.6141044700000009  0.6594666000000018   T   T   T
  0.7801371400000008  0.5247707600000027  0.7684978500000028   T   T   T
  0.5050893100000025  0.6017984200000015  0.8085013800000027   T   T   T
  0.3825999100000033  0.6554724900000011  0.7183005400000013   T   T   T
 
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