iterations/neb0_image09_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 0.1217913999999993 0.1315237999999965 0.3862939999999995 F F F 0.3674605499999970 0.1254223500000009 0.3074297400000034 F F F 0.3041625899999971 0.0898869099999970 0.6095246900000006 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 0.3408206100000015 0.3515472500000030 0.5373785499999997 T T T 0.1225967100000034 0.6326482600000034 0.3822521299999977 F F F 0.3733533899999983 0.6257182499999985 0.3069402499999967 F F F 0.3166804299999981 0.5987117000000026 0.6140021399999966 T T T 0.1072572699999981 0.8974819499999995 0.1468615000000000 F F F 0.0820285599999977 0.8774534799999998 0.4638421300000033 F F F 0.3533613000000031 0.8732129999999998 0.2287730199999984 F F F 0.3393036699999996 0.8416556199999974 0.5386199900000008 T T T 0.6185366899999991 0.1746592100000015 0.3870079300000029 F F F 0.8632075299999968 0.1003721299999967 0.3084793700000006 F F F 0.8117511600000000 0.1228091199999994 0.6169878999999980 T T T 0.5904071900000005 0.3704695799999982 0.1488165499999994 F F F 0.5937602500000025 0.4261490000000023 0.4612637500000005 F F F 0.8406428999999989 0.3490175600000001 0.2297653800000035 F F F 0.8315772199999998 0.3540038300000035 0.5362126699999976 T T T 0.6259153900000030 0.6802850400000011 0.3854239300000017 F F F 0.8696049799999983 0.6060889099999969 0.3053534299999967 F F F 0.8141179599999973 0.6578938700000023 0.6534472900000026 T T T 0.5977137799999994 0.8709951900000021 0.1478789399999982 F F F 0.5837804399999982 0.9263412099999968 0.4635042199999972 F F F 0.8507404899999997 0.8517691799999980 0.2267137700000035 F F F 0.8342742299999983 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0.2609689900000021 0.0737210599999969 0.3565797199999992 F F F 0.1506727699999999 0.0755130699999995 0.6368772599999986 T T T 0.0076425399999991 0.1481620200000009 0.3364117799999988 F F F 0.8956467300000028 0.2320534899999984 0.6578543400000001 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 0.3735018699999983 0.6886734200000006 0.5600848899999988 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 0.3720582799999974 0.9440129799999966 0.5918554200000017 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 0.1803524099999976 0.8679862700000029 0.5199009600000011 T T T 0.2707128200000000 0.5808338000000006 0.3587071999999978 F F F 0.0223591700000014 0.6457715900000025 0.3272711199999989 F F F 0.9318454499999973 0.5449992300000019 0.6773920300000000 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 0.7807770300000030 0.2005374399999980 0.5559879400000014 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 0.9143860900000007 0.4304254700000030 0.5862680700000027 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 0.6995797699999997 0.4374026999999998 0.5147531300000026 T T T 0.7524395699999999 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