iterations/neb0_image04_iter61_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 0.3005793299999979 0.0870611599999975 0.6082618200000027 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 0.3433586299999973 0.3452648600000003 0.5360230799999997 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3354267899999996 0.5899952999999982 0.6187145500000000 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 0.3456161699999996 0.8372766499999997 0.5393635799999998 T T T 0.6231207399999974 0.1720552199999972 0.3866593300000005 F F F 0.8677915800000022 0.0977681399999994 0.3081307699999982 F F F 0.8125302500000018 0.1234885499999976 0.6172164400000000 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 0.8371251499999985 0.3539482899999982 0.5359625099999974 T T T 0.6304994400000012 0.6776810499999968 0.3850753299999994 F F F 0.8741890299999966 0.6034849199999996 0.3050048300000014 F F F 0.8205743199999986 0.6568506999999997 0.6504168100000030 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 0.8404053800000000 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0.2655530400000004 0.0711170699999997 0.3562311199999968 F F F 0.1487163800000033 0.0714252699999989 0.6366446700000026 T T T 0.0122265899999974 0.1455580299999966 0.3360631799999965 F F F 0.8956760900000020 0.2320779699999989 0.6588513800000015 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 0.3860526699999980 0.6884258500000016 0.5657590900000002 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 0.3750524700000000 0.9442575400000024 0.5911030600000018 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 0.1863663199999976 0.8592337600000022 0.5193542499999992 T T T 0.2752968699999983 0.5782298100000034 0.3583586000000025 F F F 0.0269432199999997 0.6431675999999982 0.3269225199999966 F F F 0.9249543999999972 0.5387805599999993 0.6796121300000024 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 0.7845021799999969 0.2017892799999998 0.5562859799999984 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 0.9225643400000010 0.4291780699999990 0.5858069000000015 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 0.7045874499999982 0.4365432100000035 0.5143840300000022 T T T 0.7570236199999982 0.0983679300000020 0.3597671500000033 F F F 0.6665728700000031 0.1003438199999991 0.6511909999999972 T T T 0.5064795999999987 0.1868232100000000 0.3378608900000017 F F F 0.3917279899999997 0.1478068799999974 0.6615758599999992 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 0.8416184700000002 0.7198755800000001 0.5855037299999992 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 0.8847954800000011 0.9797253500000025 0.5941298500000016 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 0.6919218099999966 0.9070399599999988 0.5192839700000036 T T T 0.7744393299999999 0.6228930300000002 0.3597168000000011 F F F 0.6753883499999986 0.5751973699999979 0.6480482799999976 T T T 0.5184049300000027 0.6823136399999967 0.3341562499999995 F F F 0.4289750499999982 0.5880236799999992 0.6781765300000018 T T T 0.5616019499999965 0.3422637899999970 0.6915871899999999 T T T 0.5404078899999973 0.2658801800000035 0.5816178800000031 T T T 0.8299668000000011 0.7781716599999982 0.6985631000000012 T T T 0.1223794799999993 0.3658390399999973 0.6726034200000015 T T T 0.1824017499999968 0.6493613900000028 0.6328828099999981 T T T 0.6468773499999969 0.5269180399999982 0.7598405499999998 T T T 0.4060596500000031 0.6321654099999989 0.7890050700000018 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 0.6151401600000028 0.2256509199999996 0.5589266699999982 T T T 0.0787225099999986 0.0135658100000029 0.6188762199999971 T T T 0.7699421299999969 0.8573150300000023 0.6951098899999977 T T T 0.1492697600000028 0.2690829499999978 0.6745565200000030 T T T 0.1282007599999986 0.6105838100000014 0.6639835100000013 T T T 0.7468568099999970 0.5367127399999987 0.7602442199999970 T T T 0.5038224700000029 0.6237085899999997 0.7990109899999993 T T T 0.4053727699999996 0.6551023299999983 0.7479768700000022 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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