./iterations/neb0_image02_iter19_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 0.1282090699999969 0.1278782199999995 0.3858059599999990 F F F 0.3738782200000017 0.1217767699999968 0.3069417000000030 F F F 0.3024248899999975 0.0878027400000008 0.6086524800000035 T T T 0.1005882799999966 0.3953216900000029 0.1494664499999985 F F F 0.0935841200000027 0.3797757899999965 0.4623573499999978 F F F 0.3516275400000026 0.3686636899999982 0.2284196399999985 F F F 0.3451034200000009 0.3454550499999982 0.5362324099999967 T T T 0.1290143800000010 0.6290026799999993 0.3817640899999972 F F F 0.3797710600000030 0.6220726700000014 0.3064522100000033 F F F 0.3316682700000015 0.5897017099999999 0.6185962300000014 T T T 0.1136749400000028 0.8938363700000025 0.1463734599999995 F F F 0.0884462300000024 0.8738079000000027 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