iterations/neb0_image03_iter60_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 0.3007271399999993 0.0870180200000021 0.6081464100000034 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 0.3445093400000019 0.3453574500000016 0.5361793200000022 T T T 0.1280975700000013 0.6295234700000023 0.3818338100000034 F F F 0.3788542500000034 0.6225934599999974 0.3065219300000024 F F F 0.3360209599999990 0.5895345799999987 0.6191607399999981 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 0.3467378200000013 0.8366825100000028 0.5394654700000032 T T T 0.6240375499999971 0.1715344200000004 0.3865896100000015 F F F 0.8687083900000019 0.0972473400000027 0.3080610499999992 F F F 0.8136927400000005 0.1227133100000017 0.6169284699999977 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 0.8381229700000006 0.3537783200000035 0.5359051900000011 T T T 0.6314162500000009 0.6771602500000000 0.3850056100000003 F F F 0.8751058400000034 0.6029641200000029 0.3049351100000024 F F F 0.8213011300000019 0.6558566699999986 0.6497165099999975 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 0.8416094999999970 0.8568514299999990 0.5445553300000014 T T T 0.9663144000000017 0.3872696500000004 0.6508927000000000 T T T 0.5417234299999976 0.2126379700000030 0.6480302900000012 T T T 0.5746097600000013 0.5077504200000007 0.6940309000000013 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 0.2998216100000022 0.1857741899999965 0.5515867499999985 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 0.3590702199999996 0.4355924400000006 0.5947975600000035 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 0.1978858700000004 0.4070647899999997 0.5134241800000012 T T T 0.2664698500000000 0.0705962700000029 0.3561613999999977 F F F 0.1490774600000009 0.0710893099999979 0.6365593900000022 T T T 0.0131433999999970 0.1450372299999998 0.3359934599999974 F F F 0.8953266500000012 0.2318986699999996 0.6588413899999992 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 0.3876986499999973 0.6889491800000016 0.5666875300000029 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 0.3753698299999968 0.9443272600000014 0.5910275800000022 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 0.1874743999999993 0.8579349800000031 0.5192202699999982 T T T 0.2762136799999979 0.5777090099999995 0.3582888800000035 F F F 0.0278600299999994 0.6426468000000014 0.3268527999999975 F F F 0.9251648299999999 0.5382457199999990 0.6795109199999985 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 0.7853075900000022 0.2016959600000021 0.5562249600000015 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 0.9236758500000022 0.4288960399999979 0.5857415700000033 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 0.7053987800000030 0.4361287199999992 0.5143539199999978 T T T 0.7579404299999979 0.0978471299999981 0.3596974299999971 F F F 0.6673933200000022 0.0973201700000033 0.6504104899999987 T T T 0.5073964099999984 0.1863024100000032 0.3377911700000027 F F F 0.3923714599999997 0.1480245600000032 0.6613563700000000 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 0.8436922300000020 0.7195151600000003 0.5851310799999965 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 0.8868825799999982 0.9796385300000026 0.5937105200000019 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 0.6929520899999986 0.9067248599999971 0.5192447700000002 T T T 0.7753561399999995 0.6223722300000034 0.3596470800000020 F F F 0.6764016999999996 0.5730562299999988 0.6457972999999981 T T T 0.5193217400000023 0.6817928400000000 0.3340865300000004 F F F 0.4286098899999971 0.5852922199999995 0.6790226000000033 T T T 0.5666955599999994 0.3405792399999967 0.6903810700000008 T T T 0.5402380100000030 0.2632024999999985 0.5808539800000005 T T T 0.8282852399999996 0.7764224700000000 0.6982283600000017 T T T 0.1227422500000017 0.3652101899999991 0.6726850800000008 T T T 0.1834913599999979 0.6489196200000009 0.6337186000000017 T T T 0.6367940599999997 0.5331278800000021 0.7586704799999993 T T T 0.4022934799999973 0.6604180499999970 0.7923321399999992 T T T 0.1022923599999999 0.1124124700000024 0.1073217900000003 F F F 0.1988654000000025 0.2981679499999998 0.0726012000000011 F F F 0.0950805599999995 0.6124516300000025 0.1096167500000007 F F F 0.2091793499999994 0.7884780999999990 0.0709198500000028 F F F 0.5914970899999972 0.0842832499999986 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