./iterations/neb0_image06_iter7_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
  0.3037509700000030  0.0887539399999966  0.6090980199999976   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
  0.3424365099999989  0.3482574800000009  0.5368014200000033   T   T   T
  0.1253471400000024  0.6310858699999997  0.3820429700000005   F   F   F
  0.3761038199999973  0.6241558600000019  0.3067310899999995   F   F   F
  0.3220846099999974  0.5949258999999998  0.6158755499999984   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
  0.3423665099999980  0.8400801100000024  0.5389494200000016   T   T   T
  0.6212871199999981  0.1730968199999978  0.3867987699999986   F   F   F
  0.8659579600000029  0.0988097400000001  0.3082702100000034   F   F   F
  0.8133224600000020  0.1213896200000022  0.6165857200000033   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
  0.8349759399999996  0.3532051600000017  0.5360350199999999   T   T   T
  0.6286658200000019  0.6787226499999974  0.3852147699999975   F   F   F
  0.8723554099999973  0.6045265200000003  0.3051442699999996   F   F   F
  0.8173045999999999  0.6572538200000011  0.6516574099999985   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
  0.8378470299999989  0.8558310700000007  0.5448717000000016   T   T   T
  0.9650727499999974  0.3875039599999965  0.6506813499999993   T   T   T
  0.5439915799999966  0.2151489399999988  0.6509053899999984   T   T   T
  0.5918588400000004  0.5003323099999974  0.7084602600000025   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
  0.3037356399999993  0.1874454599999993  0.5525248699999992   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
  0.3562033400000004  0.4391119799999998  0.5951133900000016   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
  0.1947086500000026  0.4064447000000015  0.5139419099999998   T   T   T
  0.2637194200000010  0.0721586700000003  0.3563705600000020   F   F   F
  0.1514096800000004  0.0726314899999991  0.6372655099999989   T   T   T
  0.0103929699999981  0.1465996299999972  0.3362026200000017   F   F   F
  0.8964828699999998  0.2304362900000001  0.6580319400000008   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
  0.3763183399999974  0.6879441600000007  0.5617159199999975   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
  0.3741354499999971  0.9438382800000014  0.5917173300000016   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
  0.1834311900000003  0.8657757499999974  0.5196210399999970   T   T   T
  0.2734632499999989  0.5792714099999969  0.3584980400000006   F   F   F
  0.0251096000000004  0.6442091999999988  0.3270619600000018   F   F   F
  0.9275831599999975  0.5410746900000021  0.6781274399999973   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
  0.7829386200000030  0.2003262100000001  0.5559487100000027   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
  0.9186072800000034  0.4287558400000009  0.5860827799999981   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
  0.7025860099999974  0.4362278300000000  0.5145874500000005   T   T   T
  0.7551899999999989  0.0994095300000026  0.3599065900000014   F   F   F
  0.6680145899999985  0.0971538499999980  0.6511120400000010   T   T   T
  0.5046459799999994  0.1878648100000007  0.3380003299999998   F   F   F
  0.3943846700000009  0.1496376099999992  0.6626830599999991   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
  0.8307789400000019  0.7183630700000023  0.5860151799999969   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
  0.8860498000000021  0.9781270300000031  0.5935035899999974   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
  0.6900523799999974  0.9074343899999988  0.5193021099999982   T   T   T
  0.7726057100000006  0.6239346300000008  0.3598562399999992   F   F   F
  0.6714861100000036  0.5746284299999971  0.6561374599999965   T   T   T
  0.5165713100000033  0.6833552399999974  0.3342956899999976   F   F   F
  0.4021913899999987  0.6119466199999977  0.6790067600000000   T   T   T
  0.5671995599999988  0.3357983300000029  0.6960807600000010   T   T   T
  0.5426965400000014  0.2715247499999975  0.5847785200000004   T   T   T
  0.8296794000000034  0.7799537100000009  0.6988120299999991   T   T   T
  0.1208196400000006  0.3657527499999986  0.6728710399999969   T   T   T
  0.1639440599999986  0.6474676200000005  0.6248008700000014   T   T   T
  0.7031406600000025  0.4716232500000004  0.7618304399999971   T   T   T
  0.4533695300000034  0.6273746199999977  0.7746208100000018   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
  0.6143845499999969  0.2293973499999993  0.5610375899999980   T   T   T
  0.0816821800000014  0.0156457300000028  0.6188973900000008   T   T   T
  0.7684880099999987  0.8581961699999994  0.6949628599999969   T   T   T
  0.1476196300000012  0.2688728199999986  0.6741770100000011   T   T   T
  0.1157520200000022  0.6141466899999983  0.6585909300000026   T   T   T
  0.7920155400000013  0.5172528100000022  0.7695990100000003   T   T   T
  0.5220552400000003  0.5858548699999986  0.8126390099999981   T   T   T
  0.3609609199999966  0.6889171999999988  0.7226334400000027   T   T   T
 
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