iterations/neb0_image07_iter22_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 0.1236250199999986 0.1304822099999967 0.3861545600000014 F F F 0.3692941700000034 0.1243807600000011 0.3072902999999982 F F F 0.3033633300000034 0.0887381900000008 0.6089315299999996 T T T 0.0960042299999984 0.3979256800000002 0.1498150500000008 F F F 0.0890000699999973 0.3823797800000008 0.4627059500000001 F F F 0.3470434899999972 0.3712676800000025 0.2287682400000008 F F F 0.3428283699999994 0.3505745300000029 0.5381505000000004 T T T 0.1244303300000027 0.6316066699999965 0.3821126899999996 F F F 0.3751870099999977 0.6246766599999987 0.3068008099999986 F F F 0.3199934000000013 0.5976777999999996 0.6158281100000025 T T T 0.1090908899999974 0.8964403599999997 0.1467220600000019 F F F 0.0838621799999970 0.8764118900000000 0.4637026899999981 F F F 0.3551949200000024 0.8721714100000000 0.2286335800000003 F F F 0.3419355500000023 0.8394809999999993 0.5391033300000032 T T T 0.6203703099999984 0.1736176200000017 0.3868684899999977 F F F 0.8650411500000033 0.0993305399999969 0.3083399300000025 F F F 0.8131445599999978 0.1219863600000011 0.6168037300000009 T T T 0.5922408099999998 0.3694279899999984 0.1486771100000013 F F F 0.5955938700000019 0.4251074100000025 0.4611243100000024 F F F 0.8424765199999982 0.3479759700000002 0.2296259399999983 F F F 0.8337650699999983 0.3534497999999999 0.5361783800000026 T T T 0.6277490100000023 0.6792434500000013 0.3852844899999965 F F F 0.8714385999999976 0.6050473199999971 0.3052139899999986 F F F 0.8114388400000010 0.6547485800000032 0.6523271499999979 T T T 0.5995473999999987 0.8699536000000023 0.1477395000000001 F F F 0.5856140599999975 0.9252996199999970 0.4633647799999991 F F F 0.8525741099999991 0.8507275899999982 0.2265743299999983 F F F 0.8369675599999979 0.8562085399999972 0.5450773700000013 T T T 0.9643004099999999 0.3878613600000023 0.6507910999999993 T T T 0.5433116600000005 0.2213420300000024 0.6525579600000029 T T T 0.5888636199999979 0.5093852700000028 0.7195682999999988 T T T 0.0670468499999970 0.0176390199999972 0.1034921899999972 F F F 0.0769614200000035 0.0311577399999976 0.4386284899999993 F F F 0.2969330399999990 0.2431789800000033 0.2685545300000030 F F F 0.3040953699999989 0.1882559299999969 0.5525991800000014 T T T 0.1498767400000034 0.2710982600000023 0.1077413800000002 F F F 0.1516464799999966 0.2789918699999987 0.4151295300000015 F F F 0.4136330600000022 0.4919983899999991 0.2680319500000010 F F F 0.3565183199999993 0.4428201599999966 0.5966160199999990 T T T 0.4606448099999980 0.3113450999999969 0.1842318599999970 F F F 0.4439040299999988 0.3773557100000033 0.4808011499999978 F F F 0.2181780700000004 0.4379290299999994 0.1945468600000027 F F F 0.1945733599999997 0.4067508500000017 0.5140930999999966 T T T 0.2628026100000014 0.0726794699999971 0.3564402800000011 F F F 0.1509196299999971 0.0728570099999999 0.6372305000000011 T T T 0.0094761599999984 0.1471204300000011 0.3362723400000007 F F F 0.8963929399999984 0.2310089099999999 0.6580600200000006 T T T 0.0462512300000029 0.5227575999999985 0.1098554000000007 F F F 0.0663626400000012 0.5295135499999972 0.4314129899999983 F F F 0.3037859200000028 0.7445781699999969 0.2683780699999971 F F F 0.3764597099999989 0.6884198400000017 0.5627619799999977 T T T 0.1612649099999999 0.7650395699999990 0.1067999200000003 F F F 0.1395078999999981 0.7807118599999967 0.4122710600000019 F F F 0.4172174500000025 0.9946697000000029 0.2684456300000022 F F F 0.3738064699999981 0.9435704599999966 0.5917069099999992 T T T 0.4720625300000023 0.8118249799999973 0.1857394600000006 F F F 0.4353037400000019 0.8726634100000012 0.4837838600000026 F F F 0.2289837300000030 0.9374047399999981 0.1923175200000031 F F F 0.1830778100000003 0.8658289600000018 0.5196317999999991 T T T 0.2725464399999993 0.5797922100000008 0.3585677599999997 F F F 0.0241927900000007 0.6447300000000027 0.3271316800000008 F F F 0.9277509899999998 0.5415106700000010 0.6783703099999983 T T T 0.5534359999999978 0.9902377000000016 0.1046608799999973 F F F 0.5710133199999987 0.0826849199999984 0.4416474200000025 F F F 0.8129013699999987 0.1973408699999979 0.2566364199999995 F F F 0.7829562200000026 0.2001360599999984 0.5559096499999967 T T T 0.6459629699999994 0.2392506300000008 0.1084239999999994 F F F 0.6542801699999998 0.3271177000000023 0.4103586800000016 F F F 0.8745481899999987 0.4473148499999979 0.2837056999999987 F F F 0.9183756700000032 0.4292204799999979 0.5860374700000008 T T T 0.9705872999999983 0.3317484800000017 0.1860424799999976 F F F 0.9419267199999979 0.3289219099999983 0.4872728499999965 F F F 0.7117362600000021 0.4077381500000001 0.1946965799999987 F F F 0.7019300799999968 0.4365942499999989 0.5144111999999978 T T T 0.7542731899999993 0.0999303299999994 0.3599763100000004 F F F 0.6672223599999967 0.0977782100000013 0.6512976699999982 T T T 0.5037291699999997 0.1883856099999974 0.3380700499999989 F F F 0.3940806700000010 0.1479467799999981 0.6627331999999981 T T T 0.5496684100000024 0.4914307499999993 0.1058681700000008 F F F 0.5833372299999979 0.5814553599999996 0.4382173199999997 F F F 0.8216260800000015 0.6981195099999979 0.2515774700000009 F F F 0.8303543899999966 0.7180715800000002 0.5861257500000008 T T T 0.6500788600000007 0.7382983099999976 0.1076601500000010 F F F 0.6439118899999983 0.8331532899999985 0.4110798600000010 F F F 0.8850365699999969 0.9470425900000023 0.2817221299999986 F F F 0.8859364500000027 0.9786497300000008 0.5935145600000027 T T T 0.9805750499999988 0.8370506099999986 0.1830150999999987 F F F 0.9321227100000016 0.8310300400000017 0.4861566299999964 F F F 0.7222431599999979 0.9119674399999980 0.1917822599999965 F F F 0.6893270799999982 0.9077895699999985 0.5191577599999988 T T T 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0.1083779800000002 F F F 0.6845733099999975 0.2664994599999986 0.0719209499999991 F F F 0.5881001600000033 0.5860687500000026 0.1086499900000035 F F F 0.6900620199999992 0.7642335199999977 0.0712442600000003 F F F 0.6144395199999977 0.2295651499999991 0.5610969000000026 T T T 0.0813208799999998 0.0158729899999983 0.6188044000000019 T T T 0.7686977500000012 0.8584806000000000 0.6951002699999975 T T T 0.1476634099999998 0.2686203599999999 0.6739954600000004 T T T 0.1134871599999983 0.6150750799999969 0.6581281300000015 T T T 0.7941362299999994 0.5198616500000028 0.7683653799999988 T T T 0.5203520999999967 0.5868704000000022 0.8072116800000018 T T T 0.3716155700000030 0.6673915200000025 0.7122748000000030 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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