iterations/neb0_image01_iter60_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 0.3019091700000018 0.0875763299999974 0.6083108099999990 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 0.3461417800000035 0.3440814900000007 0.5360515100000001 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3316188900000014 0.5886422000000024 0.6183221799999998 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 0.3478829599999997 0.8376080500000000 0.5394062200000036 T T T 0.6258711700000035 0.1704928300000006 0.3864501700000034 F F F 0.8705420100000012 0.0962057500000029 0.3079216100000011 F F F 0.8148879100000030 0.1213073300000005 0.6166802500000017 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 0.8403042600000035 0.3530091499999983 0.5358711299999968 T T T 0.6332498700000002 0.6761186600000002 0.3848661700000022 F F F 0.8769394600000027 0.6019225300000031 0.3047956699999972 F F F 0.8181553000000008 0.6544220400000000 0.6494677800000019 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 0.8433580100000029 0.8553176500000035 0.5443929099999991 T T T 0.9655769599999999 0.3857538800000029 0.6512693000000027 T T T 0.5436414899999988 0.2155550499999990 0.6472204700000006 T T T 0.5660534299999966 0.5143990700000032 0.6927684600000035 T T T 0.0725477100000020 0.0145142300000032 0.1030738700000029 F F F 0.0824622800000014 0.0280329499999965 0.4382101699999978 F F F 0.3024338999999969 0.2400541900000022 0.2681362100000015 F F F 0.2972198599999984 0.1855519599999980 0.5515493400000011 T T T 0.1553776000000013 0.2679734700000012 0.1073230599999988 F F F 0.1571473400000016 0.2758670799999976 0.4147112100000001 F F F 0.4191339200000002 0.4888735999999980 0.2676136299999996 F F F 0.3608924099999982 0.4351455500000014 0.5945397699999972 T T T 0.4661456700000031 0.3082203100000029 0.1838135400000027 F F F 0.4494048899999967 0.3742309200000022 0.4803828300000035 F F F 0.2236789299999984 0.4348042399999983 0.1941285400000012 F F F 0.2002601900000016 0.4072714400000024 0.5129847199999986 T T T 0.2683034699999993 0.0695546800000031 0.3560219599999996 F F F 0.1514872099999991 0.0683799899999968 0.6375224299999971 T T T 0.0149770200000034 0.1439956400000000 0.3358540199999993 F F F 0.8969215799999972 0.2294605499999989 0.6587262099999975 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 0.3840230300000016 0.6886987600000012 0.5664552100000009 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 0.3777375399999983 0.9453100699999979 0.5909256500000026 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 0.1888702999999978 0.8592199499999964 0.5192335699999973 T T T 0.2780472999999972 0.5766674199999997 0.3581494399999983 F F F 0.0296936499999987 0.6416052100000016 0.3267133599999994 F F F 0.9173975699999986 0.5339538599999969 0.6799018099999969 T T T 0.5589368600000029 0.9871129100000005 0.1042425600000030 F F F 0.5765141799999967 0.0795601299999973 0.4412291000000010 F F F 0.8184022299999967 0.1942160799999968 0.2562180999999981 F F F 0.7862887100000009 0.2012844500000028 0.5561949200000029 T T T 0.6514638299999973 0.2361258399999997 0.1080056799999980 F F F 0.6597810299999978 0.3239929100000012 0.4099403600000002 F F F 0.8800490499999967 0.4441900599999968 0.2832873799999973 F F F 0.9267236299999979 0.4270749100000018 0.5856830000000031 T T T 0.9760881600000033 0.3286236900000006 0.1856241600000033 F F F 0.9474275800000029 0.3257971199999972 0.4868545300000022 F F F 0.7172371200000001 0.4046133599999990 0.1942782599999973 F F F 0.7074241899999976 0.4351579699999988 0.5142319999999998 T T T 0.7597740499999972 0.0968055399999983 0.3595579899999990 F F F 0.6677348300000006 0.0979507200000000 0.6499707799999968 T T T 0.5092300299999977 0.1852608200000034 0.3376517299999975 F F F 0.3933307400000032 0.1524052700000027 0.6611065000000025 T T T 0.5551692700000004 0.4883059599999982 0.1054498499999994 F F F 0.5888380900000030 0.5783305699999985 0.4377989999999983 F F F 0.8271269399999994 0.6949947199999968 0.2511591499999994 F F F 0.8451019199999976 0.7175221299999990 0.5847948099999982 T T T 0.6555797199999986 0.7351735200000036 0.1072418299999995 F F F 0.6494127500000033 0.8300284999999974 0.4106615399999995 F F F 0.8905374300000020 0.9439178000000013 0.2813038099999972 F F F 0.8879724299999978 0.9782509099999999 0.5935094000000021 T T T 0.9860759099999967 0.8339258199999975 0.1825967799999972 F F F 0.9376235699999995 0.8279052500000006 0.4857383100000021 F F F 0.7277440200000029 0.9088426499999969 0.1913639400000022 F F F 0.6946802300000030 0.9053013600000028 0.5190176600000029 T T T 0.7771897599999988 0.6213306399999965 0.3595076399999968 F F F 0.6691893300000018 0.5791530099999989 0.6448727800000000 T T T 0.5211553600000016 0.6807512500000001 0.3339470900000023 F F F 0.4183060699999999 0.5867380199999985 0.6793358299999994 T T T 0.5725750900000008 0.3459986499999985 0.6883059000000031 T T T 0.5386507600000030 0.2594029199999994 0.5790444699999995 T T T 0.8267561299999997 0.7751279399999973 0.6979141799999979 T T T 0.1216459899999975 0.3667225100000024 0.6741505600000011 T T T 0.1772364199999998 0.6439930000000018 0.6326304199999981 T T T 0.6088270999999992 0.5537823299999971 0.7584961600000000 T T T 0.3643189800000002 0.6933640800000020 0.7995023399999965 T T T 0.1041259799999992 0.1113708800000026 0.1071823500000022 F F F 0.2006990200000018 0.2971263600000000 0.0724617600000030 F F F 0.0969141799999989 0.6114100400000027 0.1094773100000026 F F F 0.2110129699999987 0.7874365099999991 0.0707804099999976 F F F 0.5933307100000036 0.0832416599999988 0.1079596599999988 F F F 0.6900741700000026 0.2633746699999975 0.0715026299999977 F F F 0.5936010200000013 0.5829439600000015 0.1082316700000021 F F F 0.6955628799999971 0.7611087299999966 0.0708259399999989 F F F 0.6160329000000004 0.2232201200000006 0.5566691599999984 T T T 0.0809989199999990 0.0113213899999991 0.6196789299999992 T T T 0.7669488599999994 0.8544374299999973 0.6943885900000026 T T T 0.1510182999999969 0.2708719900000034 0.6765747299999987 T T T 0.1330991700000013 0.6088658999999979 0.6669957599999989 T T T 0.7039122899999981 0.5401434500000022 0.7696830599999984 T T T 0.4516972500000023 0.6456965200000013 0.8010709300000016 T T T 0.3455356500000022 0.6943726000000012 0.7586096799999993 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