iterations/neb0_image04_iter16_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 0.3026910000000029 0.0882132600000034 0.6088046200000008 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 0.3433275699999996 0.3471777800000027 0.5364254200000005 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3289540800000026 0.5921045600000028 0.6178126499999976 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 0.3437931100000000 0.8393636400000020 0.5389981399999968 T T T 0.6231207399999974 0.1720552199999972 0.3866593300000005 F F F 0.8677915800000022 0.0977681399999994 0.3081307699999982 F F F 0.8140689199999969 0.1215404000000007 0.6166744800000004 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 0.8363398099999984 0.3528888199999969 0.5358575699999975 T T T 0.6304994400000012 0.6776810499999968 0.3850753299999994 F F F 0.8741890299999966 0.6034849199999996 0.3050048300000014 F F F 0.8184989000000016 0.6565848799999969 0.6510637599999995 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 0.8395111000000028 0.8557834400000033 0.5446216500000034 T T T 0.9650134399999999 0.3870330299999978 0.6507048400000031 T T T 0.5430946099999971 0.2143592799999965 0.6497218000000018 T T T 0.5714648699999998 0.5115477599999991 0.7018376999999987 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 0.3021342500000017 0.1867476400000001 0.5522296799999964 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 0.3570375400000003 0.4379780299999965 0.5950159300000024 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 0.1962330200000011 0.4067625799999988 0.5136731999999995 T T T 0.2655530400000004 0.0711170699999997 0.3562311199999968 F F F 0.1513427699999994 0.0714021100000011 0.6374511200000015 T T T 0.0122265899999974 0.1455580299999966 0.3360631799999965 F F F 0.8964802799999987 0.2303181099999989 0.6582565000000002 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 0.3771419600000030 0.6871540200000013 0.5632303300000032 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 0.3753149799999989 0.9441748099999998 0.5914881300000019 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 0.1848806699999983 0.8648050700000027 0.5196347099999983 T T T 0.2752968699999983 0.5782298100000034 0.3583586000000025 F F F 0.0269432199999997 0.6431675999999982 0.3269225199999966 F F F 0.9248608999999988 0.5383849899999973 0.6791316199999997 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 0.7839568899999989 0.2002988999999999 0.5560003300000034 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 0.9206899200000009 0.4283089199999992 0.5858494800000003 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 0.7039823799999994 0.4358750000000029 0.5144954200000029 T T T 0.7570236199999982 0.0983679300000020 0.3597671500000033 F F F 0.6682918400000020 0.0969101199999969 0.6509186899999975 T T T 0.5064795999999987 0.1868232100000000 0.3378608900000017 F F F 0.3926201700000007 0.1489596099999986 0.6623178600000017 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 0.8347229900000031 0.7186339000000004 0.5852477800000031 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 0.8863577500000019 0.9780681299999969 0.5935724699999980 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 0.6912845700000005 0.9068549500000032 0.5191989899999996 T T T 0.7744393299999999 0.6228930300000002 0.3597168000000011 F F F 0.6694039699999976 0.5780187800000007 0.6513242899999980 T T T 0.5184049300000027 0.6823136399999967 0.3341562499999995 F F F 0.4209532899999999 0.5949177399999996 0.6796822000000020 T T T 0.5643389900000031 0.3413464200000007 0.6936928499999979 T T T 0.5417492899999985 0.2689583800000008 0.5829388800000004 T T T 0.8291809799999967 0.7793680600000030 0.6988570099999976 T T T 0.1213188899999977 0.3661144399999969 0.6732972000000004 T T T 0.1699206099999984 0.6450248100000024 0.6269673799999964 T T T 0.6702603000000025 0.4971297299999975 0.7639441600000012 T T T 0.4148121799999984 0.6536240499999977 0.7827145299999998 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 0.1081688200000031 F F F 0.6873237399999965 0.2649370600000012 0.0717117900000019 F F F 0.5908505900000023 0.5845063499999981 0.1084408299999993 F F F 0.6928124499999981 0.7626711200000003 0.0710351000000031 F F F 0.6150406000000004 0.2275817100000026 0.5598056999999983 T T T 0.0817981599999982 0.0144102399999966 0.6191287899999978 T T T 0.7678112799999965 0.8574112100000022 0.6947991600000023 T T T 0.1486880499999970 0.2693448899999993 0.6748614999999987 T T T 0.1199115499999976 0.6130885199999980 0.6604578900000035 T T T 0.7679121500000008 0.5256397699999980 0.7688068799999996 T T T 0.4890978899999965 0.6124761100000029 0.7991718199999980 T T T 0.3873420800000034 0.6709358800000018 0.7441674800000015 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 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