./iterations/neb0_image04_iter63_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 0.1263754499999976 0.1289198099999993 0.3859453999999971 F F F 0.3720446000000024 0.1228183599999966 0.3070811400000011 F F F 0.3002868299999975 0.0870377899999966 0.6081461500000032 T T T 0.0987546599999973 0.3963632800000028 0.1496058899999966 F F F 0.0917505000000034 0.3808173800000034 0.4624967900000030 F F F 0.3497939200000033 0.3697052799999980 0.2285590799999966 F F F 0.3431009399999994 0.3451060000000012 0.5361210599999993 T T T 0.1271807600000017 0.6300442699999991 0.3819035300000024 F F F 0.3779374399999966 0.6231142600000013 0.3065916500000014 F F F 0.3354481100000015 0.5903714100000030 0.6186408800000009 T T T 0.1118413200000035 0.8948779600000023 0.1465128999999976 F F F 0.0866126100000031 0.8748494900000026 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