iterations/neb0_image04_iter81_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
  0.1263754499999976  0.1289198099999993  0.3859453999999971   F   F   F
  0.3720446000000024  0.1228183599999966  0.3070811400000011   F   F   F
  0.2994342599999982  0.0872617500000032  0.6076232400000023   T   T   T
  0.0987546599999973  0.3963632800000028  0.1496058899999966   F   F   F
  0.0917505000000034  0.3808173800000034  0.4624967900000030   F   F   F
  0.3497939200000033  0.3697052799999980  0.2285590799999966   F   F   F
  0.3438267800000006  0.3452558400000001  0.5362316399999969   T   T   T
  0.1271807600000017  0.6300442699999991  0.3819035300000024   F   F   F
  0.3779374399999966  0.6231142600000013  0.3065916500000014   F   F   F
  0.3375246200000035  0.5903078899999983  0.6185694099999992   T   T   T
  0.1118413200000035  0.8948779600000023  0.1465128999999976   F   F   F
  0.0866126100000031  0.8748494900000026  0.4634935300000009   F   F   F
  0.3579453500000014  0.8706090100000026  0.2284244200000032   F   F   F
  0.3452863699999966  0.8367977400000015  0.5392161299999998   T   T   T
  0.6231207399999974  0.1720552199999972  0.3866593300000005   F   F   F
  0.8677915800000022  0.0977681399999994  0.3081307699999982   F   F   F
  0.8127802200000005  0.1240528000000012  0.6173942900000000   T   T   T
  0.5949912399999988  0.3678655900000010  0.1484679499999970   F   F   F
  0.5983443000000008  0.4235450099999980  0.4609151499999982   F   F   F
  0.8452269499999971  0.3464135700000028  0.2294167800000011   F   F   F
  0.8377470799999998  0.3552127000000027  0.5361121800000035   T   T   T
  0.6304994400000012  0.6776810499999968  0.3850753299999994   F   F   F
  0.8741890299999966  0.6034849199999996  0.3050048300000014   F   F   F
  0.8223872000000014  0.6555734800000010  0.6495529199999979   T   T   T
  0.6022978299999977  0.8683911999999978  0.1475303400000030   F   F   F
  0.5883644900000036  0.9237372199999996  0.4631556200000020   F   F   F
  0.8553245399999980  0.8491651900000008  0.2263651700000011   F   F   F
  0.8408811899999975  0.8576274600000033  0.5446223100000012   T   T   T
  0.9667928399999965  0.3878060600000026  0.6509777899999989   T   T   T
  0.5400998799999996  0.2155796199999997  0.6482377199999974   T   T   T
  0.5759777700000015  0.5117516299999991  0.6943192800000020   T   T   T
  0.0697972800000031  0.0160766199999998  0.1032830300000001   F   F   F
  0.0797118500000025  0.0295953400000002  0.4384193300000021   F   F   F
  0.2996834699999980  0.2416165799999987  0.2683453699999987   F   F   F
  0.2977466299999989  0.1853751299999971  0.5509033900000020   T   T   T
  0.1526271700000024  0.2695358599999977  0.1075322200000031   F   F   F
  0.1543969100000027  0.2774294700000013  0.4149203699999973   F   F   F
  0.4163834900000012  0.4904359900000017  0.2678227899999968   F   F   F
  0.3570575299999987  0.4349462899999992  0.5951872899999984   T   T   T
  0.4633952399999970  0.3097826999999995  0.1840226999999999   F   F   F
  0.4466544599999978  0.3757933099999988  0.4805919900000006   F   F   F
  0.2209284999999994  0.4363666300000020  0.1943376999999984   F   F   F
  0.1972140199999970  0.4071207000000001  0.5134841100000003   T   T   T
  0.2655530400000004  0.0711170699999997  0.3562311199999968   F   F   F
  0.1480245300000007  0.0702355600000004  0.6362071200000017   T   T   T
  0.0122265899999974  0.1455580299999966  0.3360631799999965   F   F   F
  0.8949161600000011  0.2327914399999997  0.6592387800000026   T   T   T
  0.0490016600000018  0.5211952000000011  0.1096462400000036   F   F   F
  0.0691130700000002  0.5279511499999998  0.4312038300000012   F   F   F
  0.3065363500000018  0.7430157699999995  0.2681689100000000   F   F   F
  0.3854269699999975  0.6879975900000019  0.5651993299999987   T   T   T
  0.1640153399999988  0.7634771700000016  0.1065907600000031   F   F   F
  0.1422583299999971  0.7791494599999993  0.4120618999999976   F   F   F
  0.4199678800000015  0.9931072999999984  0.2682364699999980   F   F   F
  0.3737708499999997  0.9436474800000028  0.5912515600000035   T   T   T
  0.4748129600000013  0.8102625799999998  0.1855303000000035   F   F   F
  0.4380541700000009  0.8711010099999967  0.4835746999999984   F   F   F
  0.2317341600000020  0.9358423400000007  0.1921083599999989   F   F   F
  0.1858767499999985  0.8582438600000017  0.5193543000000034   T   T   T
  0.2752968699999983  0.5782298100000034  0.3583586000000025   F   F   F
  0.0269432199999997  0.6431675999999982  0.3269225199999966   F   F   F
  0.9252537799999985  0.5377155500000015  0.6802284700000030   T   T   T
  0.5561864299999968  0.9886752999999970  0.1044517200000001   F   F   F
  0.5737637499999977  0.0811225200000010  0.4414382599999982   F   F   F
  0.8156517999999977  0.1957784700000005  0.2564272600000024   F   F   F
  0.7841250199999976  0.2036391700000024  0.5569082000000023   T   T   T
  0.6487133999999983  0.2376882300000034  0.1082148400000023   F   F   F
  0.6570305999999988  0.3255552999999978  0.4101495199999974   F   F   F
  0.8772986199999977  0.4457524500000005  0.2834965400000016   F   F   F
  0.9242420499999966  0.4299624100000017  0.5858034299999986   T   T   T
  0.9733377299999972  0.3301860799999972  0.1858333200000004   F   F   F
  0.9446771499999969  0.3273595100000009  0.4870636899999994   F   F   F
  0.7144866900000011  0.4061757500000027  0.1944874200000015   F   F   F
  0.7047635999999997  0.4367695700000027  0.5143793900000020   T   T   T
  0.7570236199999982  0.0983679300000020  0.3597671500000033   F   F   F
  0.6661134300000029  0.0998814000000010  0.6509449099999998   T   T   T
  0.5064795999999987  0.1868232100000000  0.3378608900000017   F   F   F
  0.3898475700000006  0.1507025399999975  0.6609007300000016   T   T   T
  0.5524188400000014  0.4898683500000018  0.1056590099999966   F   F   F
  0.5860876599999969  0.5798929600000022  0.4380081600000025   F   F   F
  0.8243765100000005  0.6965571100000005  0.2513683099999966   F   F   F
  0.8445025400000006  0.7203194000000011  0.5849529400000009   T   T   T
  0.6528292899999997  0.7367359100000002  0.1074509899999967   F   F   F
  0.6466623199999972  0.8315908900000011  0.4108706999999967   F   F   F
  0.8877870000000030  0.9454801899999978  0.2815129700000014   F   F   F
  0.8852966700000025  0.9804124799999983  0.5941267299999993   T   T   T
  0.9833254799999978  0.8354882100000012  0.1828059400000015   F   F   F
  0.9348731400000005  0.8294676399999972  0.4859474699999993   F   F   F
  0.7249935899999969  0.9104050400000006  0.1915730999999994   F   F   F
  0.6918910300000007  0.9065554499999990  0.5192436499999999   T   T   T
  0.7744393299999999  0.6228930300000002  0.3597168000000011   F   F   F
  0.6776301900000021  0.5717592499999995  0.6443844400000032   T   T   T
  0.5184049300000027  0.6823136399999967  0.3341562499999995   F   F   F
  0.4314700899999977  0.5909462999999988  0.6774903700000010   T   T   T
  0.5657996799999978  0.3439265399999982  0.6906090599999999   T   T   T
  0.5369953900000013  0.2624969299999975  0.5803643899999997   T   T   T
  0.8282664700000026  0.7755385399999994  0.6985457999999980   T   T   T
  0.1234468899999968  0.3661683799999977  0.6724697699999993   T   T   T
  0.1858485099999996  0.6491887899999966  0.6345268500000003   T   T   T
  0.6446017999999967  0.5459735700000010  0.7569150899999997   T   T   T
  0.4011313700000017  0.6160579599999991  0.7923544100000015   T   T   T
  0.1013755500000002  0.1129332699999992  0.1073915099999994   F   F   F
  0.1979485900000029  0.2986887499999966  0.0726709200000002   F   F   F
  0.0941637499999999  0.6129724299999992  0.1096864699999998   F   F   F
  0.2082625399999998  0.7889989000000028  0.0709895700000018   F   F   F
  0.5905802799999975  0.0848040500000025  0.1081688200000031   F   F   F
  0.6873237399999965  0.2649370600000012  0.0717117900000019   F   F   F
  0.5908505900000023  0.5845063499999981  0.1084408299999993   F   F   F
  0.6928124499999981  0.7626711200000003  0.0710351000000031   F   F   F
  0.6139888000000013  0.2250758899999994  0.5581744300000011   T   T   T
  0.0769334900000018  0.0130145199999987  0.6188281000000018   T   T   T
  0.7717003699999978  0.8571407000000022  0.6946237399999973   T   T   T
  0.1505762399999995  0.2695638400000036  0.6745331999999991   T   T   T
  0.1371692100000033  0.6097138100000024  0.6669277700000009   T   T   T
  0.7445143400000021  0.5412829699999975  0.7565232700000024   T   T   T
  0.4981386999999984  0.6323111600000004  0.7999921500000013   T   T   T
  0.3843167300000019  0.6605108999999985  0.7556261200000023   T   T   T
 
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