iterations/neb0_image04_iter5_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 0.1263754499999976 0.1289198099999993 0.3859453999999971 F F F 0.3720446000000024 0.1228183599999966 0.3070811400000011 F F F 0.3033885299999994 0.0883742999999981 0.6088955399999989 T T T 0.0987546599999973 0.3963632800000028 0.1496058899999966 F F F 0.0917505000000034 0.3808173800000034 0.4624967900000030 F F F 0.3497939200000033 0.3697052799999980 0.2285590799999966 F F F 0.3437435299999976 0.3469095900000028 0.5365626700000021 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3249702000000028 0.5922277800000018 0.6163430100000014 T T T 0.1118413200000035 0.8948779600000023 0.1465128999999976 F F F 0.0866126100000031 0.8748494900000026 0.4634935300000009 F F F 0.3579453500000014 0.8706090100000026 0.2284244200000032 F F F 0.3441428400000035 0.8394369900000029 0.5390186300000011 T T T 0.6231207399999974 0.1720552199999972 0.3866593300000005 F F F 0.8677915800000022 0.0977681399999994 0.3081307699999982 F F F 0.8138359200000025 0.1211613600000021 0.6166288000000009 T T T 0.5949912399999988 0.3678655900000010 0.1484679499999970 F F F 0.5983443000000008 0.4235450099999980 0.4609151499999982 F F F 0.8452269499999971 0.3464135700000028 0.2294167800000011 F F F 0.8368688600000027 0.3528607399999970 0.5359560799999983 T T T 0.6304994400000012 0.6776810499999968 0.3850753299999994 F F F 0.8741890299999966 0.6034849199999996 0.3050048300000014 F F F 0.8170064999999980 0.6562508900000026 0.6509462100000007 T T T 0.6022978299999977 0.8683911999999978 0.1475303400000030 F F F 0.5883644900000036 0.9237372199999996 0.4631556200000020 F F F 0.8553245399999980 0.8491651900000008 0.2263651700000011 F F F 0.8396748199999990 0.8553975499999993 0.5447059600000017 T T T 0.9650399900000011 0.3867129300000016 0.6509270800000024 T T T 0.5438525300000023 0.2160379500000005 0.6497882500000003 T T T 0.5838440500000033 0.5032982000000032 0.7013190300000005 T T T 0.0697972800000031 0.0160766199999998 0.1032830300000001 F F F 0.0797118500000025 0.0295953400000002 0.4384193300000021 F F F 0.2996834699999980 0.2416165799999987 0.2683453699999987 F F F 0.3012721200000001 0.1868292199999999 0.5523115900000022 T T T 0.1526271700000024 0.2695358599999977 0.1075322200000031 F F F 0.1543969100000027 0.2774294700000013 0.4149203699999973 F F F 0.4163834900000012 0.4904359900000017 0.2678227899999968 F F F 0.3575747599999985 0.4372902799999991 0.5946892400000010 T T T 0.4633952399999970 0.3097826999999995 0.1840226999999999 F F F 0.4466544599999978 0.3757933099999988 0.4805919900000006 F F F 0.2209284999999994 0.4363666300000020 0.1943376999999984 F F F 0.1967004999999986 0.4067667099999994 0.5135474100000010 T T T 0.2655530400000004 0.0711170699999997 0.3562311199999968 F F F 0.1518110800000017 0.0706963800000011 0.6375250399999999 T T T 0.0122265899999974 0.1455580299999966 0.3360631799999965 F F F 0.8969931700000018 0.2296654100000026 0.6582664600000001 T T T 0.0490016600000018 0.5211952000000011 0.1096462400000036 F F F 0.0691130700000002 0.5279511499999998 0.4312038300000012 F F F 0.3065363500000018 0.7430157699999995 0.2681689100000000 F F F 0.3775298999999990 0.6881102899999973 0.5628143499999965 T T T 0.1640153399999988 0.7634771700000016 0.1065907600000031 F F F 0.1422583299999971 0.7791494599999993 0.4120618999999976 F F F 0.4199678800000015 0.9931072999999984 0.2682364699999980 F F F 0.3756011099999981 0.9443801399999998 0.5914815200000021 T T T 0.4748129600000013 0.8102625799999998 0.1855303000000035 F F F 0.4380541700000009 0.8711010099999967 0.4835746999999984 F F F 0.2317341600000020 0.9358423400000007 0.1921083599999989 F F F 0.1851800299999979 0.8643404900000036 0.5195257900000030 T T T 0.2752968699999983 0.5782298100000034 0.3583586000000025 F F F 0.0269432199999997 0.6431675999999982 0.3269225199999966 F F F 0.9230929599999982 0.5382713500000023 0.6786969699999972 T T T 0.5561864299999968 0.9886752999999970 0.1044517200000001 F F F 0.5737637499999977 0.0811225200000010 0.4414382599999982 F F F 0.8156517999999977 0.1957784700000005 0.2564272600000024 F F F 0.7840681699999976 0.2003876799999986 0.5560663400000010 T T T 0.6487133999999983 0.2376882300000034 0.1082148400000023 F F F 0.6570305999999988 0.3255552999999978 0.4101495199999974 F F F 0.8772986199999977 0.4457524500000005 0.2834965400000016 F F F 0.9214230500000014 0.4278589500000010 0.5859854099999993 T T T 0.9733377299999972 0.3301860799999972 0.1858333200000004 F F F 0.9446771499999969 0.3273595100000009 0.4870636899999994 F F F 0.7144866900000011 0.4061757500000027 0.1944874200000015 F F F 0.7043364999999966 0.4356142999999975 0.5144950500000007 T T T 0.7570236199999982 0.0983679300000020 0.3597671500000033 F F F 0.6678443899999991 0.0980953299999996 0.6508742500000011 T T T 0.5064795999999987 0.1868232100000000 0.3378608900000017 F F F 0.3942211499999999 0.1510071499999981 0.6622494300000028 T T T 0.5524188400000014 0.4898683500000018 0.1056590099999966 F F F 0.5860876599999969 0.5798929600000022 0.4380081600000025 F F F 0.8243765100000005 0.6965571100000005 0.2513683099999966 F F F 0.8351419099999973 0.7177550800000034 0.5856445499999978 T T T 0.6528292899999997 0.7367359100000002 0.1074509899999967 F F F 0.6466623199999972 0.8315908900000011 0.4108706999999967 F F F 0.8877870000000030 0.9454801899999978 0.2815129700000014 F F F 0.8864577499999982 0.9778680599999987 0.5935936999999996 T T T 0.9833254799999978 0.8354882100000012 0.1828059400000015 F F F 0.9348731400000005 0.8294676399999972 0.4859474699999993 F F F 0.7249935899999969 0.9104050400000006 0.1915730999999994 F F F 0.6917068400000019 0.9065718200000035 0.5191952999999998 T T T 0.7744393299999999 0.6228930300000002 0.3597168000000011 F F F 0.6703585799999985 0.5771764200000007 0.6529235799999995 T T T 0.5184049300000027 0.6823136399999967 0.3341562499999995 F F F 0.4088151899999986 0.6008237500000035 0.6778806700000004 T T T 0.5692276300000003 0.3395490600000031 0.6936660100000012 T T T 0.5412772000000032 0.2676418300000023 0.5829552200000023 T T T 0.8285701799999998 0.7784661800000023 0.6985214099999979 T T T 0.1207660999999973 0.3663571100000027 0.6734920000000031 T T T 0.1667577600000030 0.6452905000000015 0.6268676099999979 T T T 0.6674340599999979 0.5021675200000004 0.7610647400000019 T T T 0.4099397399999987 0.6588020200000031 0.7847414200000031 T T T 0.1013755500000002 0.1129332699999992 0.1073915099999994 F F F 0.1979485900000029 0.2986887499999966 0.0726709200000002 F F F 0.0941637499999999 0.6129724299999992 0.1096864699999998 F F F 0.2082625399999998 0.7889989000000028 0.0709895700000018 F F F 0.5905802799999975 0.0848040500000025 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