./iterations/neb0_image08_iter21_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 0.1227082099999990 0.1310030100000006 0.3862242800000004 F F F 0.3683773599999967 0.1249015599999979 0.3073600199999973 F F F 0.3038262800000027 0.0890480799999978 0.6091448099999965 T T T 0.0950874199999987 0.3984464799999969 0.1498847699999999 F F F 0.0880832599999977 0.3829005799999976 0.4627756699999992 F F F 0.3461266799999976 0.3717884799999993 0.2288379599999999 F F F 0.3420067200000005 0.3516340600000021 0.5381405400000006 T T T 0.1235135200000030 0.6321274700000004 0.3821824099999986 F F F 0.3742701999999980 0.6251974600000025 0.3068705299999976 F F F 0.3182277200000030 0.5981881000000016 0.6149638799999977 T T T 0.1081740799999977 0.8969611600000036 0.1467917800000009 F F F 0.0829453699999974 0.8769326899999967 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