iterations/neb0_image07_iter41_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 0.1236250199999986 0.1304822099999967 0.3861545600000014 F F F 0.3692941700000034 0.1243807600000011 0.3072902999999982 F F F 0.3037336800000006 0.0896950599999968 0.6096570200000002 T T T 0.0960042299999984 0.3979256800000002 0.1498150500000008 F F F 0.0890000699999973 0.3823797800000008 0.4627059500000001 F F F 0.3470434899999972 0.3712676800000025 0.2287682400000008 F F F 0.3424375399999988 0.3502865999999969 0.5372713300000029 T T T 0.1244303300000027 0.6316066699999965 0.3821126899999996 F F F 0.3751870099999977 0.6246766599999987 0.3068008099999986 F F F 0.3186117199999998 0.5956278900000029 0.6146976499999965 T T T 0.1090908899999974 0.8964403599999997 0.1467220600000019 F F F 0.0838621799999970 0.8764118900000000 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0.8552619000000021 0.5453179499999976 T T T 0.9634543199999968 0.3876343599999998 0.6508255999999975 T T T 0.5401481399999994 0.2248552799999999 0.6521366599999965 T T T 0.5920611299999976 0.5058296899999988 0.7192751700000031 T T T 0.0670468499999970 0.0176390199999972 0.1034921899999972 F F F 0.0769614200000035 0.0311577399999976 0.4386284899999993 F F F 0.2969330399999990 0.2431789800000033 0.2685545300000030 F F F 0.3035962900000015 0.1892258999999967 0.5530796700000025 T T T 0.1498767400000034 0.2710982600000023 0.1077413800000002 F F F 0.1516464799999966 0.2789918699999987 0.4151295300000015 F F F 0.4136330600000022 0.4919983899999991 0.2680319500000010 F F F 0.3553905400000019 0.4411843299999987 0.5953712900000028 T T T 0.4606448099999980 0.3113450999999969 0.1842318599999970 F F F 0.4439040299999988 0.3773557100000033 0.4808011499999978 F F F 0.2181780700000004 0.4379290299999994 0.1945468600000027 F F F 0.1941084899999979 0.4071553599999973 0.5140133299999974 T T T 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0.0999303299999994 0.3599763100000004 F F F 0.6662681000000035 0.1070461799999975 0.6528976600000007 T T T 0.5037291699999997 0.1883856099999974 0.3380700499999989 F F F 0.3933484200000024 0.1496164899999997 0.6631442899999982 T T T 0.5496684100000024 0.4914307499999993 0.1058681700000008 F F F 0.5833372299999979 0.5814553599999996 0.4382173199999997 F F F 0.8216260800000015 0.6981195099999979 0.2515774700000009 F F F 0.8263108000000017 0.7177198600000025 0.5866495699999987 T T T 0.6500788600000007 0.7382983099999976 0.1076601500000010 F F F 0.6439118899999983 0.8331532899999985 0.4110798600000010 F F F 0.8850365699999969 0.9470425900000023 0.2817221299999986 F F F 0.8827308600000023 0.9788443999999998 0.5943044300000011 T T T 0.9805750499999988 0.8370506099999986 0.1830150999999987 F F F 0.9321227100000016 0.8310300400000017 0.4861566299999964 F F F 0.7222431599999979 0.9119674399999980 0.1917822599999965 F F F 0.6891866400000026 0.9073721399999997 0.5194541799999968 T T T 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