iterations/neb0_image09_iter35_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 0.1217913999999993 0.1315237999999965 0.3862939999999995 F F F 0.3674605499999970 0.1254223500000009 0.3074297400000034 F F F 0.3043307800000008 0.0898531699999978 0.6094798499999996 T T T 0.0941706099999990 0.3989672700000000 0.1499544899999989 F F F 0.0871664499999980 0.3834213700000006 0.4628453899999982 F F F 0.3452098699999979 0.3723092700000024 0.2289076799999989 F F F 0.3409772600000025 0.3516705299999998 0.5374809300000010 T T T 0.1225967100000034 0.6326482600000034 0.3822521299999977 F F F 0.3733533899999983 0.6257182499999985 0.3069402499999967 F F F 0.3172316699999982 0.5988159500000023 0.6141874099999995 T T T 0.1072572699999981 0.8974819499999995 0.1468615000000000 F F F 0.0820285599999977 0.8774534799999998 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0.2609689900000021 0.0737210599999969 0.3565797199999992 F F F 0.1510500300000004 0.0754549400000002 0.6367746600000004 T T T 0.0076425399999991 0.1481620200000009 0.3364117799999988 F F F 0.8955437500000016 0.2319147500000014 0.6577658000000000 T T T 0.0444176100000035 0.5237991899999983 0.1099948399999988 F F F 0.0645290200000019 0.5305551399999970 0.4315524299999964 F F F 0.3019523000000035 0.7456197599999967 0.2685175100000023 F F F 0.3743170600000028 0.6887675600000023 0.5603703299999978 T T T 0.1594312900000006 0.7660811599999988 0.1069393599999984 F F F 0.1376742799999988 0.7817534499999965 0.4124105000000000 F F F 0.4153838300000032 0.9957112900000027 0.2685850700000003 F F F 0.3719046300000031 0.9437175999999994 0.5919369499999974 T T T 0.4702289100000030 0.8128665699999971 0.1858788999999987 F F F 0.4334701200000026 0.8737050000000011 0.4839233000000007 F F F 0.2271501099999966 0.9384463299999979 0.1924569600000012 F F F 0.1804947199999987 0.8677593399999992 0.5198194399999991 T T T 0.2707128200000000 0.5808338000000006 0.3587071999999978 F F F 0.0223591700000014 0.6457715900000025 0.3272711199999989 F F F 0.9317569899999967 0.5450665899999976 0.6772286899999997 T T T 0.5516023799999985 0.9912792900000014 0.1048003200000025 F F F 0.5691796999999994 0.0837265099999982 0.4417868600000006 F F F 0.8110677499999994 0.1983824599999977 0.2567758599999976 F F F 0.7809756300000004 0.2003855000000030 0.5559272599999971 T T T 0.6441293500000000 0.2402922200000006 0.1085634399999975 F F F 0.6524465500000005 0.3281592900000021 0.4104981199999997 F F F 0.8727145699999994 0.4483564399999977 0.2838451399999968 F F F 0.9142926099999968 0.4304135400000035 0.5863079399999975 T T T 0.9687536799999990 0.3327900700000015 0.1861819200000028 F F F 0.9400930999999986 0.3299634999999981 0.4874122900000017 F F F 0.7099026400000028 0.4087797399999999 0.1948360199999968 F F F 0.6996187900000024 0.4373705200000018 0.5147875099999979 T T T 0.7524395699999999 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