./iterations/neb0_image09_iter20_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 0.1217913999999993 0.1315237999999965 0.3862939999999995 F F F 0.3674605499999970 0.1254223500000009 0.3074297400000034 F F F 0.3043329200000002 0.0894308399999986 0.6093964399999976 T T T 0.0941706099999990 0.3989672700000000 0.1499544899999989 F F F 0.0871664499999980 0.3834213700000006 0.4628453899999982 F F F 0.3452098699999979 0.3723092700000024 0.2289076799999989 F F F 0.3411129200000005 0.3517256900000021 0.5377223899999990 T T T 0.1225967100000034 0.6326482600000034 0.3822521299999977 F F F 0.3733533899999983 0.6257182499999985 0.3069402499999967 F F F 0.3183167500000010 0.5990512500000023 0.6149608300000011 T T T 0.1072572699999981 0.8974819499999995 0.1468615000000000 F F F 0.0820285599999977 0.8774534799999998 0.4638421300000033 F F F 0.3533613000000031 0.8732129999999998 0.2287730199999984 F F F 0.3395335000000017 0.8407375999999971 0.5387521800000030 T T T 0.6185366899999991 0.1746592100000015 0.3870079300000029 F F F 0.8632075299999968 0.1003721299999967 0.3084793700000006 F F F 0.8125190800000013 0.1220809200000019 0.6166724400000021 T T T 0.5904071900000005 0.3704695799999982 0.1488165499999994 F F F 0.5937602500000025 0.4261490000000023 0.4612637500000005 F F F 0.8406428999999989 0.3490175600000001 0.2297653800000035 F F F 0.8315221000000008 0.3537893800000020 0.5361698500000003 T T T 0.6259153900000030 0.6802850400000011 0.3854239300000017 F F F 0.8696049799999983 0.6060889099999969 0.3053534299999967 F F F 0.8143341500000005 0.6567163499999964 0.6530825199999981 T T T 0.5977137799999994 0.8709951900000021 0.1478789399999982 F F F 0.5837804399999982 0.9263412099999968 0.4635042199999972 F F F 0.8507404899999997 0.8517691799999980 0.2267137700000035 F F F 0.8346761000000029 0.8565822799999978 0.5451769499999983 T T T 0.9643116599999999 0.3888039599999971 0.6505474699999994 T T T 0.5448834600000012 0.2177066900000000 0.6536926799999989 T T T 0.6237740899999977 0.4847093400000020 0.7215188999999995 T T T 0.0652132299999977 0.0186806099999970 0.1036316300000024 F F F 0.0751277999999971 0.0321993299999974 0.4387679299999974 F F F 0.2950994199999997 0.2442205700000031 0.2686939700000011 F F F 0.3074823999999978 0.1890452900000028 0.5528947399999993 T T T 0.1480431199999970 0.2721398500000021 0.1078808199999983 F F F 0.1498128599999973 0.2800334599999985 0.4152689699999996 F F F 0.4117994400000029 0.4930399799999989 0.2681713899999991 F F F 0.3540241999999978 0.4430035800000027 0.5961174999999983 T T T 0.4588111899999987 0.3123866899999967 0.1843713000000022 F F F 0.4420704099999995 0.3783973000000032 0.4809405900000030 F F F 0.2163444500000011 0.4389706199999992 0.1946863000000008 F F F 0.1916034600000032 0.4059251700000033 0.5147313900000015 T T T 0.2609689900000021 0.0737210599999969 0.3565797199999992 F F F 0.1508663600000020 0.0755764199999973 0.6368657399999975 T T T 0.0076425399999991 0.1481620200000009 0.3364117799999988 F F F 0.8958291300000027 0.2316439499999987 0.6576213199999970 T T T 0.0444176100000035 0.5237991899999983 0.1099948399999988 F F F 0.0645290200000019 0.5305551399999970 0.4315524299999964 F F F 0.3019523000000035 0.7456197599999967 0.2685175100000023 F F F 0.3745375700000011 0.6881763299999974 0.5606256299999970 T T T 0.1594312900000006 0.7660811599999988 0.1069393599999984 F F F 0.1376742799999988 0.7817534499999965 0.4124105000000000 F F F 0.4153838300000032 0.9957112900000027 0.2685850700000003 F F F 0.3718647299999986 0.9429887599999986 0.5920713300000031 T T T 0.4702289100000030 0.8128665699999971 0.1858788999999987 F F F 0.4334701200000026 0.8737050000000011 0.4839233000000007 F F F 0.2271501099999966 0.9384463299999979 0.1924569600000012 F F F 0.1808342400000029 0.8679100599999998 0.5198628400000018 T T T 0.2707128200000000 0.5808338000000006 0.3587071999999978 F F F 0.0223591700000014 0.6457715900000025 0.3272711199999989 F F F 0.9342520100000016 0.5459125200000017 0.6770977799999969 T T T 0.5516023799999985 0.9912792900000014 0.1048003200000025 F F F 0.5691796999999994 0.0837265099999982 0.4417868600000006 F F F 0.8110677499999994 0.1983824599999977 0.2567758599999976 F F F 0.7811971699999987 0.2001599099999964 0.5557977799999989 T T T 0.6441293500000000 0.2402922200000006 0.1085634399999975 F F F 0.6524465500000005 0.3281592900000021 0.4104981199999997 F F F 0.8727145699999994 0.4483564399999977 0.2838451399999968 F F F 0.9143924500000011 0.4303732199999999 0.5863035900000000 T T T 0.9687536799999990 0.3327900700000015 0.1861819200000028 F F F 0.9400930999999986 0.3299634999999981 0.4874122900000017 F F F 0.7099026400000028 0.4087797399999999 0.1948360199999968 F F F 0.6996929800000018 0.4372718300000003 0.5147189699999970 T T T 0.7524395699999999 0.1009719199999992 0.3601157499999985 F F F 0.6677548199999990 0.0962986799999968 0.6516052200000004 T T T 0.5018955500000004 0.1894271999999972 0.3382094899999970 F F F 0.3950448599999987 0.1474808899999971 0.6633787700000013 T T T 0.5478347900000031 0.4924723399999991 0.1060076099999989 F F F 0.5815036099999986 0.5824969499999995 0.4383567599999978 F F F 0.8197924600000022 0.6991610999999978 0.2517169099999990 F F F 0.8240034499999993 0.7190249599999987 0.5868253499999980 T T T 0.6482452400000014 0.7393398999999974 0.1077995899999991 F F F 0.6420782699999990 0.8341948799999983 0.4112192999999991 F F F 0.8832029499999976 0.9480841800000022 0.2818615699999967 F F F 0.8854122600000025 0.9787421500000022 0.5934194100000028 T T T 0.9787414299999995 0.8380921999999984 0.1831545399999968 F F F 0.9302890900000023 0.8320716300000015 0.4862960700000016 F F F 0.7204095399999986 0.9130090299999978 0.1919217000000017 F F F 0.6872517099999982 0.9088504999999998 0.5194863600000019 T T T 0.7698552800000016 0.6254970199999974 0.3600654000000034 F F F 0.6711614499999996 0.5716918399999997 0.6641798799999989 T T T 0.5138208799999973 0.6849176300000011 0.3345048500000019 F F F 0.3990500700000013 0.6187456899999972 0.6750247399999978 T T T 0.5628560999999976 0.3367386800000034 0.7007507300000029 T T T 0.5445830399999991 0.2772362899999976 0.5876440899999977 T T T 0.8316693399999977 0.7823537299999970 0.6993998199999965 T T T 0.1209659100000025 0.3648673499999973 0.6718782599999997 T T T 0.1596387000000021 0.6505768999999972 0.6217765099999966 T T T 0.7564609799999999 0.4343737200000035 0.7597444800000019 T T T 0.5267309500000010 0.5719452499999989 0.7671866900000026 T T T 0.0967915000000019 0.1155372600000035 0.1077401100000017 F F F 0.1933645399999975 0.3012927400000009 0.0730195200000026 F F F 0.0895797000000016 0.6155764199999965 0.1100350700000021 F F F 0.2036784900000015 0.7916028900000001 0.0713381699999971 F F F 0.5859962299999992 0.0874080399999997 0.1085174199999983 F F F 0.6827396899999982 0.2675410499999984 0.0720603899999972 F F F 0.5862665399999969 0.5871103400000024 0.1087894300000016 F F F 0.6882283999999999 0.7652751099999975 0.0713836999999984 F F F 0.6139759200000015 0.2330984199999975 0.5632449900000012 T T T 0.0812671300000005 0.0184162400000005 0.6183579799999990 T T T 0.7701957299999975 0.8604501299999967 0.6954557700000024 T T T 0.1458521300000015 0.2673391599999988 0.6726301500000034 T T T 0.1066547499999970 0.6175536800000003 0.6543924699999977 T T T 0.8289871799999986 0.4997799300000025 0.7661659899999975 T T T 0.5508397400000007 0.5576864900000018 0.8063827100000012 T T T 0.3720142800000019 0.6864469900000003 0.7039020400000027 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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