iterations/neb0_image04_iter46_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 0.3016385600000007 0.0872966100000028 0.6083982999999975 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 0.3439358700000028 0.3466742700000012 0.5364825999999994 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3358093200000027 0.5893383499999985 0.6190815300000025 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 0.3454584099999991 0.8373457100000010 0.5395264699999984 T T T 0.6231207399999974 0.1720552199999972 0.3866593300000005 F F F 0.8677915800000022 0.0977681399999994 0.3081307699999982 F F F 0.8131294800000006 0.1228837700000014 0.6170103099999977 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 0.8368474299999988 0.3534668499999967 0.5359004900000031 T T T 0.6304994400000012 0.6776810499999968 0.3850753299999994 F F F 0.8741890299999966 0.6034849199999996 0.3050048300000014 F F F 0.8202655600000028 0.6576574600000029 0.6506532499999977 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 0.8401837299999997 0.8572075699999999 0.5445639200000016 T T T 0.9655729300000004 0.3869496800000007 0.6507081399999990 T T T 0.5400923699999964 0.2154381300000026 0.6490875699999989 T T T 0.5761620600000015 0.5076642499999977 0.6976695899999967 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 0.3020042099999998 0.1867648099999997 0.5521792700000034 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 0.3585582199999990 0.4356691200000000 0.5952481300000017 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 0.1968778199999974 0.4069347900000011 0.5136591199999998 T T T 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0.5194903699999998 T T T 0.2752968699999983 0.5782298100000034 0.3583586000000025 F F F 0.0269432199999997 0.6431675999999982 0.3269225199999966 F F F 0.9244893700000034 0.5380441499999975 0.6794006900000014 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 0.7843551300000016 0.2009112200000018 0.5560713899999996 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 0.9213735700000001 0.4292208299999984 0.5858583699999969 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 0.7044818399999997 0.4361193700000001 0.5143605100000030 T T T 0.7570236199999982 0.0983679300000020 0.3597671500000033 F F F 0.6674919000000017 0.1007452099999995 0.6514790399999981 T T T 0.5064795999999987 0.1868232100000000 0.3378608900000017 F F F 0.3919218300000011 0.1468999699999998 0.6621174499999967 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 0.8386552099999989 0.7193688600000030 0.5851250799999974 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 0.8852849700000007 0.9792066400000010 0.5939640200000014 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 0.6917035000000027 0.9068864600000026 0.5191538600000030 T T T 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