iterations/neb0_image01_iter56_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 0.3019252899999998 0.0875165400000029 0.6083041500000022 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 0.3462564299999968 0.3441065299999977 0.5360562799999968 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3317162800000020 0.5886316799999989 0.6184020999999973 T T T 0.1145917500000024 0.8933155699999986 0.1463037400000005 F F F 0.0893630400000021 0.8732870999999989 0.4632843699999967 F F F 0.3606957800000004 0.8690466199999989 0.2282152599999989 F F F 0.3479647300000011 0.8375066199999992 0.5394102200000006 T T T 0.6258711700000035 0.1704928300000006 0.3864501700000034 F F F 0.8705420100000012 0.0962057500000029 0.3079216100000011 F F F 0.8148787800000008 0.1213017600000015 0.6166648399999985 T T T 0.5977416699999978 0.3663031999999973 0.1482587899999999 F F F 0.6010947299999998 0.4219826200000014 0.4607059900000010 F F F 0.8479773800000032 0.3448511799999991 0.2292076199999968 F F F 0.8402903400000028 0.3529826999999983 0.5358578199999968 T T T 0.6332498700000002 0.6761186600000002 0.3848661700000022 F F F 0.8769394600000027 0.6019225300000031 0.3047956699999972 F F F 0.8181320699999972 0.6545217999999977 0.6494989600000025 T T T 0.6050482599999967 0.8668288100000012 0.1473211799999987 F F F 0.5911149200000025 0.9221748300000030 0.4629464599999977 F F F 0.8580749699999970 0.8476027999999971 0.2261560099999969 F F F 0.8433382600000030 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