iterations/neb0_image03_iter1_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 0.1272922599999973 0.1283990100000025 0.3858756799999981 F F F 0.3729614100000020 0.1222975599999998 0.3070114200000020 F F F 0.3031118099999972 0.0881795100000033 0.6088450800000018 T T T 0.0996714699999970 0.3958424799999989 0.1495361699999975 F F F 0.0926673100000031 0.3802965799999996 0.4624270699999968 F F F 0.3507107300000030 0.3691844800000013 0.2284893599999975 F F F 0.3446166700000006 0.3457556800000035 0.5363049700000033 T T T 0.1280975700000013 0.6295234700000023 0.3818338100000034 F F F 0.3788542500000034 0.6225934599999974 0.3065219300000024 F F F 0.3250138000000007 0.5912754200000023 0.6162965099999980 T T T 0.1127581300000031 0.8943571599999984 0.1464431799999986 F F F 0.0875294200000027 0.8743286899999987 0.4634238100000019 F F F 0.3588621600000010 0.8700882099999987 0.2283546999999970 F F F 0.3451755800000029 0.8392495000000011 0.5390217699999980 T T T 0.6240375499999971 0.1715344200000004 0.3865896100000015 F F F 0.8687083900000019 0.0972473400000027 0.3080610499999992 F F F 0.8141373200000004 0.1211202599999979 0.6167324899999969 T T T 0.5959080499999985 0.3673447899999971 0.1483982299999980 F F F 0.5992611100000005 0.4230242100000012 0.4608454299999991 F F F 0.8461437599999968 0.3458927699999990 0.2293470600000020 F F F 0.8379957100000013 0.3526445400000000 0.5359696100000022 T T T 0.6314162500000009 0.6771602500000000 0.3850056100000003 F F F 0.8751058400000034 0.6029641200000029 0.3049351100000024 F F F 0.8163628300000028 0.6552043800000007 0.6506318300000018 T T T 0.6032146399999974 0.8678704000000010 0.1474606199999968 F F F 0.5892813000000032 0.9232164200000028 0.4630859000000029 F F F 0.8562413499999977 0.8486443899999969 0.2262954500000021 F F F 0.8408058600000032 0.8551074800000009 0.5446702799999983 T T T 0.9646831599999999 0.3863077299999986 0.6511823499999991 T T T 0.5441484600000024 0.2171898599999977 0.6492794799999970 T T T 0.5845689699999994 0.5049899899999986 0.7017454699999988 T T T 0.0707140900000027 0.0155558200000030 0.1032133100000010 F F F 0.0806286600000021 0.0290745400000034 0.4383496100000031 F F F 0.3006002799999976 0.2410957800000020 0.2682756499999996 F F F 0.2997111299999986 0.1865879300000017 0.5521860400000023 T T T 0.1535439800000020 0.2690150600000010 0.1074624999999969 F F F 0.1553137200000023 0.2769086699999974 0.4148506499999982 F F F 0.4173003000000008 0.4899151899999978 0.2677530699999977 F F F 0.3586130400000016 0.4369820499999975 0.5947593599999976 T T T 0.4643120499999966 0.3092619000000028 0.1839529800000008 F F F 0.4475712699999974 0.3752725100000021 0.4805222700000016 F F F 0.2218453099999991 0.4358458299999981 0.1942679799999993 F F F 0.1980745199999987 0.4069909999999979 0.5133407599999984 T T T 0.2664698500000000 0.0705962700000029 0.3561613999999977 F F F 0.1521589700000021 0.0694563400000021 0.6376611100000034 T T T 0.0131433999999970 0.1450372299999998 0.3359934599999974 F F F 0.8973832599999980 0.2291098199999979 0.6583670099999992 T T T 0.0499184700000015 0.5206743999999972 0.1095765199999974 F F F 0.0700298799999999 0.5274303500000030 0.4311341100000021 F F F 0.3074531600000014 0.7424949700000028 0.2680991900000009 F F F 0.3784142100000025 0.6879206999999994 0.5636596100000020 T T T 0.1649321499999985 0.7629563699999977 0.1065210399999970 F F F 0.1431751399999968 0.7786286600000025 0.4119921799999986 F F F 0.4208846900000012 0.9925865000000016 0.2681667499999989 F F F 0.3765320400000007 0.9446203999999980 0.5913229000000015 T T T 0.4757297700000009 0.8097417800000031 0.1854605799999973 F F F 0.4389709800000006 0.8705802100000000 0.4835049799999993 F F F 0.2326509700000017 0.9353215399999968 0.1920386399999998 F F F 0.1863837000000004 0.8633867400000028 0.5194818900000016 T T T 0.2762136799999979 0.5777090099999995 0.3582888800000035 F F F 0.0278600299999994 0.6426468000000014 0.3268527999999975 F F F 0.9202296699999977 0.5366433299999969 0.6788925800000030 T T T 0.5571032400000036 0.9881545000000003 0.1043820000000011 F F F 0.5746805599999973 0.0806017199999971 0.4413685399999991 F F F 0.8165686099999974 0.1952576699999966 0.2563575400000033 F F F 0.7847493399999976 0.2004447500000026 0.5561150200000000 T T T 0.6496302099999980 0.2371674299999995 0.1081451200000032 F F F 0.6579474099999985 0.3250345000000010 0.4100797999999983 F F F 0.8782154299999974 0.4452316499999966 0.2834268200000025 F F F 0.9232361600000019 0.4273085800000018 0.5859244099999970 T T T 0.9742545399999969 0.3296652800000004 0.1857636000000014 F F F 0.9455939599999965 0.3268387099999970 0.4869939700000003 F F F 0.7154035000000007 0.4056549499999988 0.1944177000000025 F F F 0.7053904500000030 0.4352175599999981 0.5144139200000026 T T T 0.7579404299999979 0.0978471299999981 0.3596974299999971 F F F 0.6677125599999982 0.0986341799999977 0.6506756899999999 T T T 0.5073964099999984 0.1863024100000032 0.3377911700000027 F F F 0.3939830899999990 0.1517802300000000 0.6619155500000033 T T T 0.5533356500000011 0.4893475499999980 0.1055892899999975 F F F 0.5870044699999966 0.5793721599999984 0.4379384400000035 F F F 0.8252933200000001 0.6960363099999967 0.2512985899999975 F F F 0.8379090299999987 0.7173768199999984 0.5854052800000034 T T T 0.6537460999999993 0.7362151100000034 0.1073812699999976 F F F 0.6475791299999969 0.8310700899999972 0.4108009799999977 F F F 0.8887038100000026 0.9449593900000011 0.2814432500000024 F F F 0.8867321500000003 0.9776376100000022 0.5936160400000006 T T T 0.9842422899999974 0.8349674099999973 0.1827362200000024 F F F 0.9357899500000002 0.8289468400000004 0.4858777500000002 F F F 0.7259103999999965 0.9098842399999967 0.1915033800000003 F F F 0.6927103299999970 0.9060313299999976 0.5191082699999967 T T T 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0.1080990999999969 F F F 0.6882405500000033 0.2644162599999973 0.0716420700000029 F F F 0.5917674000000019 0.5839855500000013 0.1083711100000002 F F F 0.6937292599999978 0.7621503200000035 0.0709653799999970 F F F 0.6146923900000019 0.2255642800000004 0.5587784800000009 T T T 0.0819632199999987 0.0127229400000033 0.6194391699999997 T T T 0.7669299800000005 0.8558925800000026 0.6943600099999969 T T T 0.1494499900000008 0.2705484399999989 0.6757614200000006 T T T 0.1249352800000025 0.6110112799999996 0.6629129800000015 T T T 0.7352237899999992 0.5290615899999978 0.7707767799999985 T T T 0.4719051599999986 0.6264395700000023 0.8056728700000022 T T T 0.3370423399999964 0.7016762000000014 0.7437794100000019 T T T 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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