iterations/neb0_image04_iter20_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 0.3024198299999981 0.0879986099999996 0.6087102999999985 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 0.3435311100000007 0.3474489099999971 0.5365855299999964 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3306907500000023 0.5917722100000020 0.6183510600000020 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 0.3438795900000002 0.8391003699999970 0.5390333699999985 T T T 0.6231207399999974 0.1720552199999972 0.3866593300000005 F F F 0.8677915800000022 0.0977681399999994 0.3081307699999982 F F F 0.8140251399999983 0.1216225300000033 0.6166912699999969 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 0.8362369800000025 0.3528713999999979 0.5358123800000030 T T T 0.6304994400000012 0.6776810499999968 0.3850753299999994 F F F 0.8741890299999966 0.6034849199999996 0.3050048300000014 F F F 0.8173281899999978 0.6561136899999980 0.6510722900000019 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 0.8394754699999964 0.8561717400000006 0.5445372499999976 T T T 0.9651068699999996 0.3869627999999992 0.6507102400000022 T T T 0.5427395700000019 0.2156674699999996 0.6501604799999967 T T T 0.5731141600000029 0.5116787299999999 0.7023711399999968 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 0.3023490699999982 0.1868389600000029 0.5521495899999991 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 0.3569850399999979 0.4380327000000008 0.5951854600000033 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 0.1961919299999977 0.4067740599999965 0.5137611700000022 T T T 0.2655530400000004 0.0711170699999997 0.3562311199999968 F F F 0.1510093099999992 0.0716464099999996 0.6374108300000003 T T T 0.0122265899999974 0.1455580299999966 0.3360631799999965 F F F 0.8963734800000012 0.2306515399999967 0.6582622700000016 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 0.3774306199999984 0.6871894100000020 0.5636926500000001 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 0.3751642799999999 0.9439363199999988 0.5914400799999981 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 0.1849727199999975 0.8648247699999985 0.5197046600000021 T T T 0.2752968699999983 0.5782298100000034 0.3583586000000025 F F F 0.0269432199999997 0.6431675999999982 0.3269225199999966 F F F 0.9253179900000035 0.5387867399999990 0.6792328200000028 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 0.7840088499999993 0.2003220599999977 0.5559649799999988 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 0.9205701699999977 0.4285860399999990 0.5858492099999992 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 0.7039425700000024 0.4359588399999978 0.5144841400000004 T T T 0.7570236199999982 0.0983679300000020 0.3597671500000033 F F F 0.6680610499999986 0.0967370400000007 0.6509295999999978 T T T 0.5064795999999987 0.1868232100000000 0.3378608900000017 F F F 0.3926742299999972 0.1482553600000003 0.6623233600000020 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 0.8349758299999976 0.7185752800000031 0.5853410499999967 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 0.8864211799999993 0.9782232000000022 0.5935544000000021 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 0.6912738099999984 0.9069509999999994 0.5192120600000010 T T T 0.7744393299999999 0.6228930300000002 0.3597168000000011 F F F 0.6688375499999992 0.5783855099999968 0.6515459900000025 T T T 0.5184049300000027 0.6823136399999967 0.3341562499999995 F F F 0.4242782500000004 0.5926106399999966 0.6799174100000016 T T T 0.5615780700000030 0.3438626800000009 0.6934632999999977 T T T 0.5418408399999990 0.2689945500000022 0.5829903500000029 T T T 0.8295110199999982 0.7793813400000005 0.6988969599999990 T T T 0.1213827600000030 0.3659397799999979 0.6731678700000003 T T T 0.1724793400000024 0.6447920499999995 0.6274296899999996 T T T 0.6694152600000010 0.4974129100000013 0.7635166600000005 T T T 0.4111866300000031 0.6541240099999968 0.7836340899999996 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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