iterations/neb0_image06_iter29_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 0.1245418299999983 0.1299614099999999 0.3860848400000023 F F F 0.3702109800000031 0.1238599599999972 0.3072205799999992 F F F 0.3035722300000003 0.0887469899999971 0.6089655199999982 T T T 0.0969210399999980 0.3974048800000034 0.1497453300000018 F F F 0.0899168799999970 0.3818589799999970 0.4626362300000011 F F F 0.3479602999999969 0.3707468799999987 0.2286985200000018 F F F 0.3439670300000017 0.3496357300000028 0.5380309700000012 T T T 0.1253471400000024 0.6310858699999997 0.3820429700000005 F F F 0.3761038199999973 0.6241558600000019 0.3067310899999995 F F F 0.3225029999999975 0.5952082700000005 0.6161373600000033 T T T 0.1100076999999970 0.8959195600000029 0.1466523400000028 F F F 0.0847789899999967 0.8758910900000032 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