./iterations/neb0_image05_iter33_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 0.1254586399999980 0.1294406100000032 0.3860151200000033 F F F 0.3711277900000027 0.1233391600000004 0.3071508600000001 F F F 0.3033539999999988 0.0885517199999981 0.6088190099999977 T T T 0.0978378499999977 0.3968840799999995 0.1496756100000027 F F F 0.0908336899999966 0.3813381800000002 0.4625665100000020 F F F 0.3488771099999965 0.3702260800000019 0.2286288000000027 F F F 0.3440905799999996 0.3483725299999989 0.5372391399999970 T T T 0.1262639500000020 0.6305650700000029 0.3819732500000015 F F F 0.3770206299999970 0.6236350599999980 0.3066613700000005 F F F 0.3300228900000022 0.5922095199999973 0.6176578999999975 T T T 0.1109245099999967 0.8953987599999991 0.1465826199999967 F F F 0.0856958000000034 0.8753702899999993 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