./iterations/neb0_image03_iter49_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 0.1272922599999973 0.1283990100000025 0.3858756799999981 F F F 0.3729614100000020 0.1222975599999998 0.3070114200000020 F F F 0.3012551599999966 0.0869296099999985 0.6081980000000016 T T T 0.0996714699999970 0.3958424799999989 0.1495361699999975 F F F 0.0926673100000031 0.3802965799999996 0.4624270699999968 F F F 0.3507107300000030 0.3691844800000013 0.2284893599999975 F F F 0.3448105399999974 0.3458633600000027 0.5363965000000022 T T T 0.1280975700000013 0.6295234700000023 0.3818338100000034 F F F 0.3788542500000034 0.6225934599999974 0.3065219300000024 F F F 0.3367762999999968 0.5887619200000032 0.6196690900000021 T T T 0.1127581300000031 0.8943571599999984 0.1464431799999986 F F F 0.0875294200000027 0.8743286899999987 0.4634238100000019 F F F 0.3588621600000010 0.8700882099999987 0.2283546999999970 F F F 0.3467345700000024 0.8366693999999981 0.5395575499999978 T T T 0.6240375499999971 0.1715344200000004 0.3865896100000015 F F F 0.8687083900000019 0.0972473400000027 0.3080610499999992 F F F 0.8139022399999973 0.1224611499999995 0.6168866499999979 T T T 0.5959080499999985 0.3673447899999971 0.1483982299999980 F F F 0.5992611100000005 0.4230242100000012 0.4608454299999991 F F F 0.8461437599999968 0.3458927699999990 0.2293470600000020 F F F 0.8379974200000007 0.3535382499999997 0.5358664099999970 T T T 0.6314162500000009 0.6771602500000000 0.3850056100000003 F F F 0.8751058400000034 0.6029641200000029 0.3049351100000024 F F F 0.8208429600000002 0.6566255600000019 0.6500944699999991 T T T 0.6032146399999974 0.8678704000000010 0.1474606199999968 F F F 0.5892813000000032 0.9232164200000028 0.4630859000000029 F F F 0.8562413499999977 0.8486443899999969 0.2262954500000021 F F F 0.8414368600000017 0.8572230199999993 0.5444734699999998 T T T 0.9660301300000000 0.3868625400000028 0.6507487399999974 T T T 0.5416234799999984 0.2129540700000021 0.6482920400000012 T T T 0.5743929699999981 0.5075136700000016 0.6950271199999989 T T T 0.0707140900000027 0.0155558200000030 0.1032133100000010 F F F 0.0806286600000021 0.0290745400000034 0.4383496100000031 F F F 0.3006002799999976 0.2410957800000020 0.2682756499999996 F F F 0.3008738899999983 0.1862781700000014 0.5518317800000005 T T T 0.1535439800000020 0.2690150600000010 0.1074624999999969 F F F 0.1553137200000023 0.2769086699999974 0.4148506499999982 F F F 0.4173003000000008 0.4899151899999978 0.2677530699999977 F F F 0.3597942500000002 0.4353723999999985 0.5953008199999985 T T T 0.4643120499999966 0.3092619000000028 0.1839529800000008 F F F 0.4475712699999974 0.3752725100000021 0.4805222700000016 F F F 0.2218453099999991 0.4358458299999981 0.1942679799999993 F F F 0.1979635699999989 0.4070069099999998 0.5135887400000030 T T T 0.2664698500000000 0.0705962700000029 0.3561613999999977 F F F 0.1497248399999975 0.0713193200000006 0.6368296400000020 T T T 0.0131433999999970 0.1450372299999998 0.3359934599999974 F F F 0.8953247500000003 0.2315073199999986 0.6586646200000033 T T T 0.0499184700000015 0.5206743999999972 0.1095765199999974 F F F 0.0700298799999999 0.5274303500000030 0.4311341100000021 F F F 0.3074531600000014 0.7424949700000028 0.2680991900000009 F F F 0.3868376799999993 0.6886931200000035 0.5670821900000007 T T T 0.1649321499999985 0.7629563699999977 0.1065210399999970 F F F 0.1431751399999968 0.7786286600000025 0.4119921799999986 F F F 0.4208846900000012 0.9925865000000016 0.2681667499999989 F F F 0.3756556900000021 0.9440968400000003 0.5911526599999988 T T T 0.4757297700000009 0.8097417800000031 0.1854605799999973 F F F 0.4389709800000006 0.8705802100000000 0.4835049799999993 F F F 0.2326509700000017 0.9353215399999968 0.1920386399999998 F F F 0.1875876100000013 0.8598567200000033 0.5193947599999973 T T T 0.2762136799999979 0.5777090099999995 0.3582888800000035 F F F 0.0278600299999994 0.6426468000000014 0.3268527999999975 F F F 0.9250269799999984 0.5378214600000035 0.6795375399999983 T T T 0.5571032400000036 0.9881545000000003 0.1043820000000011 F F F 0.5746805599999973 0.0806017199999971 0.4413685399999991 F F F 0.8165686099999974 0.1952576699999966 0.2563575400000033 F F F 0.7851116499999975 0.2011625800000019 0.5560474199999987 T T T 0.6496302099999980 0.2371674299999995 0.1081451200000032 F F F 0.6579474099999985 0.3250345000000010 0.4100797999999983 F F F 0.8782154299999974 0.4452316499999966 0.2834268200000025 F F F 0.9228250199999977 0.4288410099999993 0.5857966100000027 T T T 0.9742545399999969 0.3296652800000004 0.1857636000000014 F F F 0.9455939599999965 0.3268387099999970 0.4869939700000003 F F F 0.7154035000000007 0.4056549499999988 0.1944177000000025 F F F 0.7053850799999992 0.4358072599999971 0.5143177300000019 T T T 0.7579404299999979 0.0978471299999981 0.3596974299999971 F F F 0.6679004100000014 0.0975644299999985 0.6506619600000008 T T T 0.5073964099999984 0.1863024100000032 0.3377911700000027 F F F 0.3921230600000030 0.1473615900000027 0.6617409999999992 T T T 0.5533356500000011 0.4893475499999980 0.1055892899999975 F F F 0.5870044699999966 0.5793721599999984 0.4379384400000035 F F F 0.8252933200000001 0.6960363099999967 0.2512985899999975 F F F 0.8421094600000032 0.7194314500000019 0.5848670000000027 T T T 0.6537460999999993 0.7362151100000034 0.1073812699999976 F F F 0.6475791299999969 0.8310700899999972 0.4108009799999977 F F F 0.8887038100000026 0.9449593900000011 0.2814432500000024 F F F 0.8867672800000008 0.9791462399999986 0.5936894800000019 T T T 0.9842422899999974 0.8349674099999973 0.1827362200000024 F F F 0.9357899500000002 0.8289468400000004 0.4858777500000002 F F F 0.7259103999999965 0.9098842399999967 0.1915033800000003 F F F 0.6926480400000017 0.9066528099999971 0.5191050399999995 T T T 0.7753561399999995 0.6223722300000034 0.3596470800000020 F F F 0.6752132200000034 0.5751900899999995 0.6468496199999976 T T T 0.5193217400000023 0.6817928400000000 0.3340865300000004 F F F 0.4290830600000035 0.5843494900000010 0.6795998999999995 T T T 0.5644237799999985 0.3405580299999968 0.6908763300000018 T T T 0.5408033200000020 0.2652797800000002 0.5811638400000021 T T T 0.8287194400000004 0.7775028800000001 0.6985036499999993 T T T 0.1221449199999967 0.3653684599999991 0.6729003800000015 T T T 0.1837485900000004 0.6473648899999986 0.6331563399999993 T T T 0.6388906000000034 0.5280376600000025 0.7598543800000002 T T T 0.4026854900000032 0.6629752799999977 0.7906647800000002 T T T 0.1022923599999999 0.1124124700000024 0.1073217900000003 F F F 0.1988654000000025 0.2981679499999998 0.0726012000000011 F F F 0.0950805599999995 0.6124516300000025 0.1096167500000007 F F F 0.2091793499999994 0.7884780999999990 0.0709198500000028 F F F 0.5914970899999972 0.0842832499999986 0.1080990999999969 F F F 0.6882405500000033 0.2644162599999973 0.0716420700000029 F F F 0.5917674000000019 0.5839855500000013 0.1083711100000002 F F F 0.6937292599999978 0.7621503200000035 0.0709653799999970 F F F 0.6160418500000020 0.2257725400000012 0.5585547800000015 T T T 0.0797624400000032 0.0136516999999969 0.6190405500000011 T T T 0.7689112199999997 0.8568408200000022 0.6949318300000016 T T T 0.1494517599999980 0.2687771100000020 0.6748844399999996 T T T 0.1260913899999991 0.6108707200000012 0.6635280100000003 T T T 0.7387783599999977 0.5343738600000023 0.7624527999999984 T T T 0.4903486700000030 0.6186794999999989 0.7986349600000011 T T T 0.3951183400000033 0.6623130600000025 0.7494870399999982 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