./iterations/neb0_image07_iter28_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 0.3039954199999997 0.0890125800000021 0.6091419999999985 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 0.3433543599999993 0.3503194099999973 0.5378346800000031 T T T 0.1244303300000027 0.6316066699999965 0.3821126899999996 F F F 0.3751870099999977 0.6246766599999987 0.3068008099999986 F F F 0.3197534199999978 0.5969300000000004 0.6159353500000009 T T T 0.1090908899999974 0.8964403599999997 0.1467220600000019 F F F 0.0838621799999970 0.8764118900000000 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