iterations/neb0_image05_iter73_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 0.1254586399999980 0.1294406100000032 0.3860151200000033 F F F 0.3711277900000027 0.1233391600000004 0.3071508600000001 F F F 0.3013818000000015 0.0873233900000017 0.6081520099999977 T T T 0.0978378499999977 0.3968840799999995 0.1496756100000027 F F F 0.0908336899999966 0.3813381800000002 0.4625665100000020 F F F 0.3488771099999965 0.3702260800000019 0.2286288000000027 F F F 0.3429614599999979 0.3452885100000032 0.5360623899999979 T T T 0.1262639500000020 0.6305650700000029 0.3819732500000015 F F F 0.3770206299999970 0.6236350599999980 0.3066613700000005 F F F 0.3341778799999986 0.5912481700000001 0.6162692699999965 T T T 0.1109245099999967 0.8953987599999991 0.1465826199999967 F F F 0.0856958000000034 0.8753702899999993 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0.2646362300000007 0.0716378700000035 0.3563008400000029 F F F 0.1499011000000010 0.0708483200000032 0.6367856000000032 T T T 0.0113097799999977 0.1460788300000004 0.3361329000000026 F F F 0.8965067199999979 0.2323477199999999 0.6588992100000013 T T T 0.0480848500000022 0.5217159999999978 0.1097159600000026 F F F 0.0681962600000006 0.5284719499999966 0.4312735500000002 F F F 0.3056195400000021 0.7435365700000034 0.2682386299999990 F F F 0.3813524299999997 0.6872682999999995 0.5626415400000013 T T T 0.1630985299999992 0.7639979699999984 0.1066604800000022 F F F 0.1413415199999974 0.7796702600000032 0.4121316199999967 F F F 0.4190510700000019 0.9936281000000022 0.2683061899999970 F F F 0.3739901900000007 0.9435749299999969 0.5915927400000029 T T T 0.4738961500000016 0.8107833799999966 0.1856000200000025 F F F 0.4371373600000013 0.8716218100000006 0.4836444199999974 F F F 0.2308173500000024 0.9363631399999974 0.1921780799999979 F F F 0.1847176300000015 0.8618288300000003 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0.0988887299999988 0.3598368700000023 F F F 0.6645382399999988 0.1082090299999976 0.6530187999999981 T T T 0.5055627899999990 0.1873440099999968 0.3379306100000008 F F F 0.3900270099999972 0.1510553000000030 0.6616429199999985 T T T 0.5515020300000018 0.4903891499999986 0.1057287300000027 F F F 0.5851708499999972 0.5804137599999990 0.4380778800000016 F F F 0.8234597000000008 0.6970779099999973 0.2514380300000028 F F F 0.8350660700000034 0.7195062600000028 0.5864055500000021 T T T 0.6519124800000000 0.7372567099999969 0.1075207100000029 F F F 0.6457455099999976 0.8321116899999979 0.4109404200000029 F F F 0.8868701900000033 0.9460009900000017 0.2815826900000005 F F F 0.8806580400000001 0.9798685299999974 0.5951003600000035 T T T 0.9824086699999981 0.8360090099999979 0.1828756600000006 F F F 0.9339563300000009 0.8299884400000010 0.4860171899999983 F F F 0.7240767799999972 0.9109258399999973 0.1916428199999984 F F F 0.6906114200000033 0.9067262399999976 0.5192611599999992 T T T 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