./iterations/neb0_image06_iter68_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
  0.3019578400000000  0.0886096600000030  0.6089411399999989   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
  0.3419181499999979  0.3457046500000018  0.5365412100000029   T   T   T
  0.1253471400000024  0.6310858699999997  0.3820429700000005   F   F   F
  0.3761038199999973  0.6241558600000019  0.3067310899999995   F   F   F
  0.3219431099999994  0.5931983999999986  0.6147648399999994   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
  0.3424294699999990  0.8405666199999970  0.5390809299999972   T   T   T
  0.6212871199999981  0.1730968199999978  0.3867987699999986   F   F   F
  0.8659579600000029  0.0988097400000001  0.3082702100000034   F   F   F
  0.8089042000000006  0.1250636500000013  0.6180714099999989   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
  0.8349504700000026  0.3538032800000011  0.5362527999999998   T   T   T
  0.6286658200000019  0.6787226499999974  0.3852147699999975   F   F   F
  0.8723554099999973  0.6045265200000003  0.3051442699999996   F   F   F
  0.8119030599999988  0.6597154899999964  0.6540901700000035   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
  0.8365883100000033  0.8557613700000033  0.5458360200000030   T   T   T
  0.9629122600000031  0.3890670500000013  0.6512064100000003   T   T   T
  0.5376728800000024  0.2281367000000003  0.6522929400000024   T   T   T
  0.5792882200000022  0.5133733999999990  0.7166597800000005   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
  0.3015656199999981  0.1849720000000019  0.5514659999999978   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
  0.3522253300000031  0.4383201899999989  0.5946833400000031   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
  0.1953974700000032  0.4065005499999970  0.5134734499999993   T   T   T
  0.2637194200000010  0.0721586700000003  0.3563705600000020   F   F   F
  0.1499731800000035  0.0717578399999965  0.6372023999999996   T   T   T
  0.0103929699999981  0.1465996299999972  0.3362026200000017   F   F   F
  0.8975139200000015  0.2316748699999991  0.6585213299999992   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
  0.3771653299999969  0.6881571199999996  0.5622390699999968   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
  0.3744169200000016  0.9444890999999984  0.5917050199999991   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
  0.1835817199999994  0.8646834700000028  0.5196745499999977   T   T   T
  0.2734632499999989  0.5792714099999969  0.3584980400000006   F   F   F
  0.0251096000000004  0.6442091999999988  0.3270619600000018   F   F   F
  0.9219369699999973  0.5407558899999998  0.6790866600000030   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
  0.7814554200000003  0.2019020700000027  0.5566007799999966   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
  0.9199413999999990  0.4294173600000022  0.5860820199999992   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
  0.7033881300000004  0.4375752300000002  0.5143330399999968   T   T   T
  0.7551899999999989  0.0994095300000026  0.3599065900000014   F   F   F
  0.6634161799999987  0.1101902199999998  0.6533815700000005   T   T   T
  0.5046459799999994  0.1878648100000007  0.3380003299999998   F   F   F
  0.3906852300000025  0.1523502499999978  0.6621203999999992   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
  0.8292917799999984  0.7189788199999967  0.5875655899999970   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
  0.8785325400000019  0.9796219300000004  0.5951894000000024   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
  0.6897433399999997  0.9071561700000004  0.5192849399999986   T   T   T
  0.7726057100000006  0.6239346300000008  0.3598562399999992   F   F   F
  0.6613781399999965  0.5907524200000012  0.6625043100000028   T   T   T
  0.5165713100000033  0.6833552399999974  0.3342956899999976   F   F   F
  0.4096249099999980  0.6008611700000017  0.6746582999999973   T   T   T
  0.5479603799999992  0.3537220999999988  0.6962777099999968   T   T   T
  0.5393486099999976  0.2754524899999993  0.5843247899999966   T   T   T
  0.8374985399999986  0.7857506100000009  0.6994300699999982   T   T   T
  0.1200610400000031  0.3694205500000010  0.6728701299999997   T   T   T
  0.1689441400000007  0.6512224000000018  0.6285139700000002   T   T   T
  0.7003855399999992  0.4873761699999974  0.7654465299999984   T   T   T
  0.4689917899999969  0.5806260399999985  0.7661318600000016   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
  0.6110143100000016  0.2289713999999989  0.5618693199999996   T   T   T
  0.0796839400000025  0.0151516299999983  0.6191539699999993   T   T   T
  0.7721196399999997  0.8608623599999987  0.6968272399999975   T   T   T
  0.1479614799999993  0.2728660399999967  0.6742128100000002   T   T   T
  0.1192583400000018  0.6126417999999987  0.6608584299999976   T   T   T
  0.7884126699999996  0.5315724800000012  0.7611615300000025   T   T   T
  0.5170562899999993  0.6044122099999996  0.8015233699999982   T   T   T
  0.3780494499999989  0.6443359599999994  0.7112628699999988   T   T   T
 
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