iterations/neb0_image07_iter68_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 0.1236250199999986 0.1304822099999967 0.3861545600000014 F F F 0.3692941700000034 0.1243807600000011 0.3072902999999982 F F F 0.3023872999999995 0.0895233500000003 0.6090471799999975 T T T 0.0960042299999984 0.3979256800000002 0.1498150500000008 F F F 0.0890000699999973 0.3823797800000008 0.4627059500000001 F F F 0.3470434899999972 0.3712676800000025 0.2287682400000008 F F F 0.3414021199999979 0.3474674899999997 0.5366842299999988 T T T 0.1244303300000027 0.6316066699999965 0.3821126899999996 F F F 0.3751870099999977 0.6246766599999987 0.3068008099999986 F F F 0.3166032000000030 0.5950599700000012 0.6135783499999974 T T T 0.1090908899999974 0.8964403599999997 0.1467220600000019 F F F 0.0838621799999970 0.8764118900000000 0.4637026899999981 F F F 0.3551949200000024 0.8721714100000000 0.2286335800000003 F F F 0.3407088000000016 0.8418975299999971 0.5387433100000010 T T T 0.6203703099999984 0.1736176200000017 0.3868684899999977 F F F 0.8650411500000033 0.0993305399999969 0.3083399300000025 F F F 0.8095129200000031 0.1247281899999990 0.6179617499999992 T T T 0.5922408099999998 0.3694279899999984 0.1486771100000013 F F F 0.5955938700000019 0.4251074100000025 0.4611243100000024 F F F 0.8424765199999982 0.3479759700000002 0.2296259399999983 F F F 0.8338045200000010 0.3538965600000026 0.5362237900000011 T T T 0.6277490100000023 0.6792434500000013 0.3852844899999965 F F F 0.8714385999999976 0.6050473199999971 0.3052139899999986 F F F 0.8128186699999986 0.6602033500000033 0.6543350299999986 T T T 0.5995473999999987 0.8699536000000023 0.1477395000000001 F F F 0.5856140599999975 0.9252996199999970 0.4633647799999991 F F F 0.8525741099999991 0.8507275899999982 0.2265743299999983 F F F 0.8356779200000020 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0.2628026100000014 0.0726794699999971 0.3564402800000011 F F F 0.1500403399999968 0.0728183399999978 0.6371690799999996 T T T 0.0094761599999984 0.1471204300000011 0.3362723400000007 F F F 0.8971195600000001 0.2318259799999964 0.6583683400000027 T T T 0.0462512300000029 0.5227575999999985 0.1098554000000007 F F F 0.0663626400000012 0.5295135499999972 0.4314129899999983 F F F 0.3037859200000028 0.7445781699999969 0.2683780699999971 F F F 0.3718457700000002 0.6882321000000005 0.5604442699999979 T T T 0.1612649099999999 0.7650395699999990 0.1067999200000003 F F F 0.1395078999999981 0.7807118599999967 0.4122710600000019 F F F 0.4172174500000025 0.9946697000000029 0.2684456300000022 F F F 0.3739136200000033 0.9447837299999975 0.5916439800000006 T T T 0.4720625300000023 0.8118249799999973 0.1857394600000006 F F F 0.4353037400000019 0.8726634100000012 0.4837838600000026 F F F 0.2289837300000030 0.9374047399999981 0.1923175200000031 F F F 0.1817886799999968 0.8679873299999983 0.5199060400000022 T T T 0.2725464399999993 0.5797922100000008 0.3585677599999997 F F F 0.0241927900000007 0.6447300000000027 0.3271316800000008 F F F 0.9241207199999977 0.5418242699999993 0.6787513299999972 T T T 0.5534359999999978 0.9902377000000016 0.1046608799999973 F F F 0.5710133199999987 0.0826849199999984 0.4416474200000025 F F F 0.8129013699999987 0.1973408699999979 0.2566364199999995 F F F 0.7806646499999985 0.2016825099999977 0.5566069200000001 T T T 0.6459629699999994 0.2392506300000008 0.1084239999999994 F F F 0.6542801699999998 0.3271177000000023 0.4103586800000016 F F F 0.8745481899999987 0.4473148499999979 0.2837056999999987 F F F 0.9178343499999997 0.4298856799999982 0.5861334200000030 T T T 0.9705872999999983 0.3317484800000017 0.1860424799999976 F F F 0.9419267199999979 0.3289219099999983 0.4872728499999965 F F F 0.7117362600000021 0.4077381500000001 0.1946965799999987 F F F 0.7020578899999990 0.4375913200000028 0.5144905499999979 T T T 0.7542731899999993 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