iterations/neb0_image07_iter32_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 0.3045108900000031 0.0896537200000012 0.6093885700000001 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 0.3431824399999996 0.3498648300000013 0.5374737200000013 T T T 0.1244303300000027 0.6316066699999965 0.3821126899999996 F F F 0.3751870099999977 0.6246766599999987 0.3068008099999986 F F F 0.3200456699999989 0.5968002999999982 0.6159593100000009 T T T 0.1090908899999974 0.8964403599999997 0.1467220600000019 F F F 0.0838621799999970 0.8764118900000000 0.4637026899999981 F F F 0.3551949200000024 0.8721714100000000 0.2286335800000003 F F F 0.3416998200000023 0.8415047200000032 0.5388250900000031 T T T 0.6203703099999984 0.1736176200000017 0.3868684899999977 F F F 0.8650411500000033 0.0993305399999969 0.3083399300000025 F F F 0.8112349299999977 0.1225441500000031 0.6172169999999966 T T T 0.5922408099999998 0.3694279899999984 0.1486771100000013 F F F 0.5955938700000019 0.4251074100000025 0.4611243100000024 F F F 0.8424765199999982 0.3479759700000002 0.2296259399999983 F F F 0.8343861800000028 0.3535022599999991 0.5362220199999967 T T T 0.6277490100000023 0.6792434500000013 0.3852844899999965 F F F 0.8714385999999976 0.6050473199999971 0.3052139899999986 F F F 0.8098825399999967 0.6560927000000021 0.6529837300000025 T T T 0.5995473999999987 0.8699536000000023 0.1477395000000001 F F F 0.5856140599999975 0.9252996199999970 0.4633647799999991 F F F 0.8525741099999991 0.8507275899999982 0.2265743299999983 F F F 0.8367102200000005 0.8549613499999964 0.5455060600000010 T T T 0.9641716699999989 0.3882035099999968 0.6508679499999985 T T T 0.5418332100000001 0.2245266899999976 0.6525615299999998 T T T 0.5933476499999983 0.5050049800000025 0.7185358400000013 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 0.3037260899999978 0.1894370400000014 0.5530193800000021 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 0.3564978599999975 0.4411275000000003 0.5962316299999983 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 0.1946655500000034 0.4072528199999965 0.5142034799999990 T T T 0.2628026100000014 0.0726794699999971 0.3564402800000011 F F F 0.1513166100000021 0.0725809500000025 0.6370971300000008 T T T 0.0094761599999984 0.1471204300000011 0.3362723400000007 F F F 0.8960958700000035 0.2309943599999968 0.6582212599999977 T T T 0.0462512300000029 0.5227575999999985 0.1098554000000007 F F F 0.0663626400000012 0.5295135499999972 0.4314129899999983 F F F 0.3037859200000028 0.7445781699999969 0.2683780699999971 F F F 0.3771992200000014 0.6895977699999989 0.5623551199999994 T T T 0.1612649099999999 0.7650395699999990 0.1067999200000003 F F F 0.1395078999999981 0.7807118599999967 0.4122710600000019 F F F 0.4172174500000025 0.9946697000000029 0.2684456300000022 F F F 0.3735057999999967 0.9440726999999995 0.5916858699999992 T T T 0.4720625300000023 0.8118249799999973 0.1857394600000006 F F F 0.4353037400000019 0.8726634100000012 0.4837838600000026 F F F 0.2289837300000030 0.9374047399999981 0.1923175200000031 F F F 0.1826467300000019 0.8652459400000012 0.5195323700000003 T T T 0.2725464399999993 0.5797922100000008 0.3585677599999997 F F F 0.0241927900000007 0.6447300000000027 0.3271316800000008 F F F 0.9226207800000026 0.5407506100000035 0.6782829799999988 T T T 0.5534359999999978 0.9902377000000016 0.1046608799999973 F F F 0.5710133199999987 0.0826849199999984 0.4416474200000025 F F F 0.8129013699999987 0.1973408699999979 0.2566364199999995 F F F 0.7828282700000031 0.2005752500000000 0.5559952099999990 T T T 0.6459629699999994 0.2392506300000008 0.1084239999999994 F F F 0.6542801699999998 0.3271177000000023 0.4103586800000016 F F F 0.8745481899999987 0.4473148499999979 0.2837056999999987 F F F 0.9180479899999980 0.4292563300000012 0.5860342900000006 T T T 0.9705872999999983 0.3317484800000017 0.1860424799999976 F F F 0.9419267199999979 0.3289219099999983 0.4872728499999965 F F F 0.7117362600000021 0.4077381500000001 0.1946965799999987 F F F 0.7020061699999971 0.4369633000000022 0.5145855399999988 T T T 0.7542731899999993 0.0999303299999994 0.3599763100000004 F F F 0.6652299100000008 0.1042858899999999 0.6521039599999980 T T T 0.5037291699999997 0.1883856099999974 0.3380700499999989 F F F 0.3954975500000018 0.1495095699999993 0.6628221300000021 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 0.8282653799999977 0.7170452100000020 0.5869513100000034 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 0.8850704700000023 0.9786547400000032 0.5936852700000017 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 0.6893376700000005 0.9077650899999981 0.5193423099999990 T T T 0.7716889000000009 0.6244554299999976 0.3599259599999982 F F F 0.6616493300000030 0.5846274900000026 0.6625243200000028 T T T 0.5156544999999966 0.6838760400000012 0.3343654099999966 F F F 0.4052566299999967 0.6121352400000006 0.6750368900000012 T T T 0.5488972899999993 0.3504807099999994 0.6963219100000018 T T T 0.5420793799999970 0.2729680300000012 0.5851023199999972 T T T 0.8300176199999996 0.7800092900000024 0.6988526199999967 T T T 0.1208743799999965 0.3661240599999971 0.6726804999999985 T T T 0.1613517799999968 0.6485039000000015 0.6250354200000032 T T T 0.7145893200000017 0.4659067199999996 0.7659115100000022 T T T 0.4894183099999978 0.5901028299999993 0.7645703999999967 T T T 0.0986251200000012 0.1144956699999966 0.1076006699999965 F F F 0.1951981599999968 0.3002511500000011 0.0728800799999973 F F F 0.0914133200000009 0.6145348299999966 0.1098956299999969 F F F 0.2055121100000008 0.7905613000000002 0.0711987299999990 F F F 0.5878298499999985 0.0863664499999999 0.1083779800000002 F F F 0.6845733099999975 0.2664994599999986 0.0719209499999991 F F F 0.5881001600000033 0.5860687500000026 0.1086499900000035 F F F 0.6900620199999992 0.7642335199999977 0.0712442600000003 F F F 0.6131539300000028 0.2293257400000002 0.5616031500000034 T T T 0.0811406600000026 0.0157504499999988 0.6188229699999965 T T T 0.7691979700000005 0.8580144499999989 0.6951744500000032 T T T 0.1477137099999979 0.2690565799999973 0.6739779999999982 T T T 0.1118809199999973 0.6152315499999972 0.6585545399999972 T T T 0.7945045299999975 0.5247860899999992 0.7679186800000011 T T T 0.5223409099999969 0.5867996200000007 0.8058149299999968 T T T 0.3727851299999969 0.6607664100000008 0.7102410299999988 T T T 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00