iterations/neb0_image01_iter17_CONTCAR output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningNo 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 0.1291258799999966 0.1273574200000027 0.3857362400000000 F F F 0.3747950300000014 0.1212559700000000 0.3068719799999968 F F F 0.3025027899999984 0.0876860699999966 0.6086057999999994 T T T 0.1015050900000034 0.3948008899999991 0.1493967299999994 F F F 0.0945009300000024 0.3792549899999997 0.4622876299999987 F F F 0.3525443500000023 0.3681428900000014 0.2283499199999994 F F F 0.3459705599999978 0.3443505400000006 0.5360406200000014 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3301027199999993 0.5889888299999981 0.6180128999999965 T T T 0.1145917500000024 0.8933155699999986 0.1463037400000005 F F F 0.0893630400000021 0.8732870999999989 0.4632843699999967 F F F 0.3606957800000004 0.8690466199999989 0.2282152599999989 F F F 0.3470351200000010 0.8384553100000005 0.5391790400000005 T T T 0.6258711700000035 0.1704928300000006 0.3864501700000034 F F F 0.8705420100000012 0.0962057500000029 0.3079216100000011 F F F 0.8147151100000016 0.1209949100000003 0.6167558200000016 T T T 0.5977416699999978 0.3663031999999973 0.1482587899999999 F F F 0.6010947299999998 0.4219826200000014 0.4607059900000010 F F F 0.8479773800000032 0.3448511799999991 0.2292076199999968 F F F 0.8399546099999995 0.3523381400000005 0.5358282500000016 T T T 0.6332498700000002 0.6761186600000002 0.3848661700000022 F F F 0.8769394600000027 0.6019225300000031 0.3047956699999972 F F F 0.8171500899999984 0.6548313799999974 0.6499506400000001 T T T 0.6050482599999967 0.8668288100000012 0.1473211799999987 F F F 0.5911149200000025 0.9221748300000030 0.4629464599999977 F F F 0.8580749699999970 0.8476027999999971 0.2261560099999969 F F F 0.8427944999999966 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0.2683034699999993 0.0695546800000031 0.3560219599999996 F F F 0.1522718900000015 0.0677395299999972 0.6379347600000003 T T T 0.0149770200000034 0.1439956400000000 0.3358540199999993 F F F 0.8976324200000008 0.2287076100000007 0.6586359000000002 T T T 0.0517520900000008 0.5196328099999974 0.1094370799999993 F F F 0.0718634999999992 0.5263887600000032 0.4309946699999969 F F F 0.3092867800000008 0.7414533800000029 0.2679597500000028 F F F 0.3798748900000035 0.6877884499999993 0.5652743500000028 T T T 0.1667657699999978 0.7619147799999979 0.1063815999999989 F F F 0.1450087600000032 0.7775870700000027 0.4118527400000005 F F F 0.4227183100000005 0.9915449100000018 0.2680273100000008 F F F 0.3780205699999968 0.9451891699999990 0.5910315100000005 T T T 0.4775633900000003 0.8087001900000033 0.1853211399999992 F F F 0.4408045999999999 0.8695386200000002 0.4833655400000012 F F F 0.2344845900000010 0.9342799499999970 0.1918992000000017 F F F 0.1880562799999979 0.8619609400000030 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