./iterations/neb0_image06_iter31_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
  0.3038684699999976  0.0890376300000000  0.6091127500000013   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
  0.3440509200000008  0.3492453400000031  0.5378116600000027   T   T   T
  0.1253471400000024  0.6310858699999997  0.3820429700000005   F   F   F
  0.3761038199999973  0.6241558600000019  0.3067310899999995   F   F   F
  0.3224665999999985  0.5946261100000001  0.6159741700000012   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
  0.3426542799999979  0.8405413400000015  0.5389582700000020   T   T   T
  0.6212871199999981  0.1730968199999978  0.3867987699999986   F   F   F
  0.8659579600000029  0.0988097400000001  0.3082702100000034   F   F   F
  0.8115971499999972  0.1222989400000003  0.6171628800000022   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
  0.8353290100000024  0.3533701899999997  0.5361733299999969   T   T   T
  0.6286658200000019  0.6787226499999974  0.3852147699999975   F   F   F
  0.8723554099999973  0.6045265200000003  0.3051442699999996   F   F   F
  0.8082302099999978  0.6547791799999985  0.6524777999999998   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
  0.8378503599999974  0.8551339699999971  0.5453575399999977   T   T   T
  0.9640994100000029  0.3878661399999999  0.6509453700000023   T   T   T
  0.5415694400000035  0.2263081199999988  0.6523261500000004   T   T   T
  0.5747522200000006  0.5169373299999975  0.7153103599999966   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
  0.3024537200000026  0.1889038400000018  0.5527120599999975   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
  0.3575843799999987  0.4401693699999996  0.5962523199999978   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
  0.1960270200000025  0.4071992499999979  0.5140260100000020   T   T   T
  0.2637194200000010  0.0721586700000003  0.3563705600000020   F   F   F
  0.1510581000000002  0.0717241099999981  0.6371787599999976   T   T   T
  0.0103929699999981  0.1465996299999972  0.3362026200000017   F   F   F
  0.8963782000000009  0.2307464100000018  0.6583287999999996   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
  0.3783781500000032  0.6897762799999967  0.5636373399999997   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
  0.3741730799999985  0.9438784999999967  0.5915106500000036   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
  0.1840641800000000  0.8643658700000003  0.5195493599999992   T   T   T
  0.2734632499999989  0.5792714099999969  0.3584980400000006   F   F   F
  0.0251096000000004  0.6442091999999988  0.3270619600000018   F   F   F
  0.9216238799999985  0.5396222500000007  0.6786364100000029   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
  0.7836754699999986  0.2005749599999973  0.5559953699999980   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
  0.9197780499999979  0.4289429000000027  0.5859670600000015   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
  0.7030992199999986  0.4365298999999965  0.5144746799999993   T   T   T
  0.7551899999999989  0.0994095300000026  0.3599065900000014   F   F   F
  0.6650219400000026  0.1034954900000002  0.6516866699999966   T   T   T
  0.5046459799999994  0.1878648100000007  0.3380003299999998   F   F   F
  0.3952178500000016  0.1492106600000014  0.6624865699999987   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
  0.8318089799999981  0.7169054599999996  0.5865416700000026   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
  0.8857035300000007  0.9787058699999989  0.5936244399999993   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
  0.6903147299999972  0.9073673299999996  0.5192110600000035   T   T   T
  0.7726057100000006  0.6239346300000008  0.3598562399999992   F   F   F
  0.6590619300000000  0.5851421300000013  0.6603826500000025   T   T   T
  0.5165713100000033  0.6833552399999974  0.3342956899999976   F   F   F
  0.4114293200000034  0.6068698200000000  0.6778023500000003   T   T   T
  0.5487272499999989  0.3559547400000014  0.6947847100000004   T   T   T
  0.5410399299999966  0.2703158599999966  0.5839338099999978   T   T   T
  0.8296320800000032  0.7791082600000010  0.6986173600000001   T   T   T
  0.1210379400000008  0.3662446800000012  0.6729085500000025   T   T   T
  0.1659702500000009  0.6473821299999969  0.6268718899999968   T   T   T
  0.6912304700000007  0.4840165199999973  0.7671001100000012   T   T   T
  0.4775958199999977  0.5993432799999994  0.7661811600000021   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
  0.6137122199999965  0.2281100300000034  0.5605819299999979   T   T   T
  0.0807806700000029  0.0147158099999984  0.6189463400000008   T   T   T
  0.7686632599999967  0.8573231499999991  0.6950487300000034   T   T   T
  0.1483995600000014  0.2693653099999977  0.6744730799999985   T   T   T
  0.1150192400000023  0.6141508600000023  0.6600471900000002   T   T   T
  0.7789554499999980  0.5289947899999987  0.7670924999999968   T   T   T
  0.5026674100000008  0.6047906399999974  0.8051183899999970   T   T   T
  0.3862522499999983  0.6468616200000028  0.7169926300000000   T   T   T
 
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