iterations/neb0_image01_iter71_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 0.1291258799999966 0.1273574200000027 0.3857362400000000 F F F 0.3747950300000014 0.1212559700000000 0.3068719799999968 F F F 0.3017226999999991 0.0877702299999967 0.6082164199999980 T T T 0.1015050900000034 0.3948008899999991 0.1493967299999994 F F F 0.0945009300000024 0.3792549899999997 0.4622876299999987 F F F 0.3525443500000023 0.3681428900000014 0.2283499199999994 F F F 0.3459998599999992 0.3439933499999981 0.5359095800000020 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3318577499999975 0.5887033500000030 0.6182985200000033 T T T 0.1145917500000024 0.8933155699999986 0.1463037400000005 F F F 0.0893630400000021 0.8732870999999989 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