iterations/neb0_image06_iter80_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
  0.3015233400000028  0.0883549699999975  0.6085674099999991   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
  0.3432585199999991  0.3460449800000021  0.5363234699999992   T   T   T
  0.1253471400000024  0.6310858699999997  0.3820429700000005   F   F   F
  0.3761038199999973  0.6241558600000019  0.3067310899999995   F   F   F
  0.3218890200000004  0.5930241200000026  0.6143286000000003   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
  0.3425691200000003  0.8406449100000017  0.5387706899999998   T   T   T
  0.6212871199999981  0.1730968199999978  0.3867987699999986   F   F   F
  0.8659579600000029  0.0988097400000001  0.3082702100000034   F   F   F
  0.8087944899999968  0.1255508200000008  0.6181390200000010   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
  0.8350046199999994  0.3544643700000023  0.5360910099999998   T   T   T
  0.6286658200000019  0.6787226499999974  0.3852147699999975   F   F   F
  0.8723554099999973  0.6045265200000003  0.3051442699999996   F   F   F
  0.8128813000000008  0.6612350099999986  0.6538882799999968   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
  0.8369416600000008  0.8566477000000035  0.5455231999999981   T   T   T
  0.9632399099999986  0.3894445500000003  0.6509615699999998   T   T   T
  0.5366627599999987  0.2275489499999992  0.6519524599999968   T   T   T
  0.5803673200000006  0.5135744099999968  0.7171195499999996   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
  0.3020746199999991  0.1851106700000003  0.5511407999999989   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
  0.3514097199999995  0.4370526200000029  0.5951984499999980   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
  0.1954772100000000  0.4060854299999974  0.5137546400000019   T   T   T
  0.2637194200000010  0.0721586700000003  0.3563705600000020   F   F   F
  0.1495040300000028  0.0715327200000004  0.6366947799999991   T   T   T
  0.0103929699999981  0.1465996299999972  0.3362026200000017   F   F   F
  0.8960635800000034  0.2326764700000012  0.6589108299999964   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
  0.3768350400000031  0.6877847499999987  0.5617867099999998   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
  0.3738929299999967  0.9431059699999977  0.5920273199999997   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
  0.1836497500000007  0.8647868099999982  0.5197838300000015   T   T   T
  0.2734632499999989  0.5792714099999969  0.3584980400000006   F   F   F
  0.0251096000000004  0.6442091999999988  0.3270619600000018   F   F   F
  0.9213494500000010  0.5407929599999974  0.6792908999999980   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
  0.7806067699999986  0.2032410999999996  0.5570623999999995   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
  0.9193653399999988  0.4303300600000028  0.5860316999999995   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
  0.7032601900000017  0.4376580400000023  0.5142849699999985   T   T   T
  0.7551899999999989  0.0994095300000026  0.3599065900000014   F   F   F
  0.6633165900000009  0.1105623099999988  0.6535754499999982   T   T   T
  0.5046459799999994  0.1878648100000007  0.3380003299999998   F   F   F
  0.3889567000000014  0.1533615700000013  0.6620722600000022   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
  0.8294667099999984  0.7193105300000013  0.5871154000000018   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
  0.8789026600000014  0.9798774699999981  0.5953053799999992   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
  0.6894340300000010  0.9068822200000000  0.5192060199999986   T   T   T
  0.7726057100000006  0.6239346300000008  0.3598562399999992   F   F   F
  0.6609229499999998  0.5935830700000011  0.6624272500000004   T   T   T
  0.5165713100000033  0.6833552399999974  0.3342956899999976   F   F   F
  0.4104772800000021  0.6026142600000028  0.6743475999999973   T   T   T
  0.5480728799999994  0.3535975799999989  0.6960606100000035   T   T   T
  0.5378308200000035  0.2763521800000035  0.5839932399999981   T   T   T
  0.8389628600000023  0.7864251999999965  0.6998461499999991   T   T   T
  0.1201938700000014  0.3704905000000025  0.6730223300000020   T   T   T
  0.1687897099999986  0.6522079499999975  0.6287965100000008   T   T   T
  0.7050854000000015  0.4926095300000028  0.7665655999999998   T   T   T
  0.4678531500000034  0.5755613999999980  0.7667410199999978   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
  0.6104279999999989  0.2301665099999965  0.5619978100000012   T   T   T
  0.0782036800000014  0.0149977399999983  0.6192476499999984   T   T   T
  0.7747910100000013  0.8627561500000027  0.6976689600000014   T   T   T
  0.1488336000000032  0.2741757800000002  0.6742209200000033   T   T   T
  0.1207092100000011  0.6124227399999995  0.6614304200000021   T   T   T
  0.7945823599999997  0.5311003699999972  0.7576796199999976   T   T   T
  0.5203322699999973  0.6026442799999998  0.8002726699999982   T   T   T
  0.3753019700000024  0.6408842499999992  0.7105536199999989   T   T   T
 
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