iterations/neb0_image04_iter53_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
  0.3010150599999974  0.0870749700000033  0.6083347699999990   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
  0.3439375000000027  0.3460156599999991  0.5361684800000006   T   T   T
  0.1271807600000017  0.6300442699999991  0.3819035300000024   F   F   F
  0.3779374399999966  0.6231142600000013  0.3065916500000014   F   F   F
  0.3355545399999968  0.5893123500000002  0.6188165599999991   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
  0.3458623399999965  0.8372127900000024  0.5394583900000001   T   T   T
  0.6231207399999974  0.1720552199999972  0.3866593300000005   F   F   F
  0.8677915800000022  0.0977681399999994  0.3081307699999982   F   F   F
  0.8128140099999968  0.1232430100000030  0.6171290400000018   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
  0.8370036700000014  0.3537918500000004  0.5359108000000035   T   T   T
  0.6304994400000012  0.6776810499999968  0.3850753299999994   F   F   F
  0.8741890299999966  0.6034849199999996  0.3050048300000014   F   F   F
  0.8203991600000009  0.6574709799999994  0.6505719299999981   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
  0.8402201700000020  0.8574086799999989  0.5446536399999999   T   T   T
  0.9658504800000003  0.3874471900000032  0.6506892399999984   T   T   T
  0.5400113299999987  0.2150346999999968  0.6488416700000030   T   T   T
  0.5745087499999997  0.5079504099999994  0.6965292100000013   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
  0.3012506099999968  0.1862714199999971  0.5518540599999966   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
  0.3579296799999980  0.4352480399999976  0.5947352900000027   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
  0.1968737099999984  0.4070011499999993  0.5135664900000023   T   T   T
  0.2655530400000004  0.0711170699999997  0.3562311199999968   F   F   F
  0.1491947700000011  0.0717673199999993  0.6367831199999969   T   T   T
  0.0122265899999974  0.1455580299999966  0.3360631799999965   F   F   F
  0.8955158999999995  0.2318306900000024  0.6587665899999990   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
  0.3860330300000001  0.6891201299999992  0.5661017700000031   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
  0.3752625500000022  0.9441225099999997  0.5911693099999979   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
  0.1864938200000026  0.8601109900000026  0.5194251200000011   T   T   T
  0.2752968699999983  0.5782298100000034  0.3583586000000025   F   F   F
  0.0269432199999997  0.6431675999999982  0.3269225199999966   F   F   F
  0.9247954900000011  0.5385039499999991  0.6796024300000028   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
  0.7844090099999974  0.2013904699999998  0.5561263700000012   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
  0.9219489700000025  0.4290747000000010  0.5857979299999982   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
  0.7045335399999999  0.4362949100000009  0.5143375399999996   T   T   T
  0.7570236199999982  0.0983679300000020  0.3597671500000033   F   F   F
  0.6670150200000009  0.1007628600000032  0.6513706400000032   T   T   T
  0.5064795999999987  0.1868232100000000  0.3378608900000017   F   F   F
  0.3917563500000014  0.1470464399999969  0.6618652900000015   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
  0.8404167999999999  0.7196680099999995  0.5852802499999967   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
  0.8849940400000023  0.9792795700000028  0.5940645499999988   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
  0.6917080699999971  0.9070022699999996  0.5191581500000026   T   T   T
  0.7744393299999999  0.6228930300000002  0.3597168000000011   F   F   F
  0.6747719600000011  0.5771890799999966  0.6485936099999989   T   T   T
  0.5184049300000027  0.6823136399999967  0.3341562499999995   F   F   F
  0.4292312999999979  0.5865958400000011  0.6781860199999983   T   T   T
  0.5587826200000023  0.3419312700000035  0.6917800599999993   T   T   T
  0.5410886299999973  0.2673403399999970  0.5818529299999966   T   T   T
  0.8300784400000012  0.7787376499999965  0.6988249099999990   T   T   T
  0.1219139299999981  0.3656644000000000  0.6726837799999998   T   T   T
  0.1825831700000009  0.6485511099999997  0.6326745200000019   T   T   T
  0.6473480100000018  0.5223954100000014  0.7605950000000021   T   T   T
  0.4115184400000018  0.6381325199999992  0.7879313400000001   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
  0.6153030400000006  0.2260786599999989  0.5591888299999965   T   T   T
  0.0794824000000034  0.0139502500000006  0.6188995300000002   T   T   T
  0.7694442700000010  0.8575081700000027  0.6951089200000027   T   T   T
  0.1490442400000020  0.2690180299999980  0.6745483799999974   T   T   T
  0.1253769100000000  0.6113912599999978  0.6630830699999990   T   T   T
  0.7468950499999991  0.5354058799999990  0.7608218800000017   T   T   T
  0.5031336600000031  0.6194981399999975  0.7992988900000029   T   T   T
  0.4091152000000022  0.6512617300000016  0.7458326499999970   T   T   T
 
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