iterations/neb0_image09_iter76_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 0.3034471300000021 0.0899380199999982 0.6094523300000034 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 0.3406833800000015 0.3509978499999988 0.5371893200000031 T T T 0.1225967100000034 0.6326482600000034 0.3822521299999977 F F F 0.3733533899999983 0.6257182499999985 0.3069402499999967 F F F 0.3151811299999991 0.5988010900000020 0.6134225300000011 T T T 0.1072572699999981 0.8974819499999995 0.1468615000000000 F F F 0.0820285599999977 0.8774534799999998 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