iterations/neb0_image05_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 0.1254586399999980 0.1294406100000032 0.3860151200000033 F F F 0.3711277900000027 0.1233391600000004 0.3071508600000001 F F F 0.3026485399999999 0.0881738699999985 0.6088105700000028 T T T 0.0978378499999977 0.3968840799999995 0.1496756100000027 F F F 0.0908336899999966 0.3813381800000002 0.4625665100000020 F F F 0.3488771099999965 0.3702260800000019 0.2286288000000027 F F F 0.3432206600000001 0.3478701200000032 0.5368402300000028 T T T 0.1262639500000020 0.6305650700000029 0.3819732500000015 F F F 0.3770206299999970 0.6236350599999980 0.3066613700000005 F F F 0.3267897099999999 0.5942127900000003 0.6177498099999994 T T T 0.1109245099999967 0.8953987599999991 0.1465826199999967 F F F 0.0856958000000034 0.8753702899999993 0.4635632500000000 F F F 0.3570285400000017 0.8711298099999993 0.2284941400000022 F F F 0.3432063200000002 0.8395190099999965 0.5390219000000016 T T T 0.6222039299999977 0.1725760200000011 0.3867290499999996 F F F 0.8668747700000026 0.0982889400000033 0.3082004899999973 F F F 0.8138859800000020 0.1217091700000026 0.6167335800000018 T T T 0.5940744299999992 0.3683863899999977 0.1485376700000032 F F F 0.5974274900000012 0.4240658100000019 0.4609848699999972 F F F 0.8443101399999975 0.3469343699999996 0.2294865000000001 F F F 0.8355478100000013 0.3530342399999995 0.5359562299999965 T T T 0.6295826300000016 0.6782018500000007 0.3851450499999984 F F F 0.8732722199999969 0.6040057200000035 0.3050745500000005 F F F 0.8164901999999969 0.6560179800000014 0.6513597200000021 T T T 0.6013810199999980 0.8689120000000017 0.1476000600000020 F F F 0.5874476799999968 0.9242580200000035 0.4632253400000010 F F F 0.8544077299999984 0.8496859899999976 0.2264348900000002 F F F 0.8388303699999966 0.8561131399999979 0.5447142499999984 T T T 0.9649121899999997 0.3871758200000031 0.6507014199999972 T T T 0.5427995800000005 0.2159880500000000 0.6503935599999977 T T T 0.5711452600000015 0.5153731400000012 0.7079711900000021 T T T 0.0688804700000034 0.0165974199999965 0.1033527499999991 F F F 0.0787950400000028 0.0301161399999970 0.4384890500000012 F F F 0.2987666599999983 0.2421373800000026 0.2684150899999977 F F F 0.3026847000000004 0.1871235200000001 0.5522733399999993 T T T 0.1517103600000027 0.2700566600000016 0.1076019400000021 F F F 0.1534801000000030 0.2779502699999981 0.4149900900000034 F F F 0.4154666800000015 0.4909567899999985 0.2678925100000029 F F F 0.3572173700000008 0.4395469899999966 0.5956230600000012 T T T 0.4624784299999973 0.3103035000000034 0.1840924199999989 F F F 0.4457376499999981 0.3763141100000027 0.4806617099999997 F F F 0.2200116899999998 0.4368874299999987 0.1944074199999974 F F F 0.1957863700000004 0.4067846900000021 0.5138128600000016 T T T 0.2646362300000007 0.0716378700000035 0.3563008400000029 F F F 0.1510804600000029 0.0718531799999980 0.6373866100000001 T T T 0.0113097799999977 0.1460788300000004 0.3361329000000026 F F F 0.8963492600000009 0.2306551699999986 0.6582166600000008 T T T 0.0480848500000022 0.5217159999999978 0.1097159600000026 F F F 0.0681962600000006 0.5284719499999966 0.4312735500000002 F F F 0.3056195400000021 0.7435365700000034 0.2682386299999990 F F F 0.3769161900000029 0.6872407500000008 0.5629556299999976 T T T 0.1630985299999992 0.7639979699999984 0.1066604800000022 F F F 0.1413415199999974 0.7796702600000032 0.4121316199999967 F F F 0.4190510700000019 0.9936281000000022 0.2683061899999970 F F F 0.3748981099999966 0.9438962300000000 0.5914996699999975 T T T 0.4738961500000016 0.8107833799999966 0.1856000200000025 F F F 0.4371373600000013 0.8716218100000006 0.4836444199999974 F F F 0.2308173500000024 0.9363631399999974 0.1921780799999979 F F F 0.1843298699999991 0.8651278700000020 0.5196397599999969 T T T 0.2743800599999986 0.5787506100000002 0.3584283200000016 F F F 0.0260264100000001 0.6436884000000020 0.3269922400000027 F F F 0.9255876400000034 0.5391956100000002 0.6790282099999985 T T T 0.5552696199999971 0.9891961000000009 0.1045214399999992 F F F 0.5728469399999980 0.0816433199999977 0.4415079799999972 F F F 0.8147349899999980 0.1962992699999973 0.2564969800000014 F F F 0.7837455000000020 0.2002835099999984 0.5559580899999972 T T T 0.6477965899999987 0.2382090300000002 0.1082845600000013 F F F 0.6561137899999991 0.3260761000000016 0.4102192400000035 F F F 0.8763818099999980 0.4462732499999973 0.2835662600000006 F F F 0.9200512199999977 0.4286383600000008 0.5858589999999992 T T T 0.9724209199999976 0.3307068800000010 0.1859030399999995 F F F 0.9437603399999972 0.3278803099999976 0.4871334099999984 F F F 0.7135698800000014 0.4066965499999995 0.1945571400000006 F F F 0.7033512100000010 0.4361111400000013 0.5144544799999977 T T T 0.7561068099999986 0.0988887299999988 0.3598368700000023 F F F 0.6680192899999966 0.0969718599999965 0.6509992499999981 T T T 0.5055627899999990 0.1873440099999968 0.3379306100000008 F F F 0.3927239100000008 0.1482345800000004 0.6623961700000010 T T T 0.5515020300000018 0.4903891499999986 0.1057287300000027 F F F 0.5851708499999972 0.5804137599999990 0.4380778800000016 F F F 0.8234597000000008 0.6970779099999973 0.2514380300000028 F F F 0.8337331299999988 0.7184925399999997 0.5854405199999988 T T T 0.6519124800000000 0.7372567099999969 0.1075207100000029 F F F 0.6457455099999976 0.8321116899999979 0.4109404200000029 F F F 0.8868701900000033 0.9460009900000017 0.2815826900000005 F F F 0.8862869599999996 0.9782210799999973 0.5935458100000019 T T T 0.9824086699999981 0.8360090099999979 0.1828756600000006 F F F 0.9339563300000009 0.8299884400000010 0.4860171899999983 F F F 0.7240767799999972 0.9109258399999973 0.1916428199999984 F F F 0.6907357199999993 0.9071343000000027 0.5191785299999978 T T T 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