iterations/neb0_image06_iter23_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 0.1245418299999983 0.1299614099999999 0.3860848400000023 F F F 0.3702109800000031 0.1238599599999972 0.3072205799999992 F F F 0.3028873000000019 0.0882840599999994 0.6088273800000010 T T T 0.0969210399999980 0.3974048800000034 0.1497453300000018 F F F 0.0899168799999970 0.3818589799999970 0.4626362300000011 F F F 0.3479602999999969 0.3707468799999987 0.2286985200000018 F F F 0.3435987900000015 0.3493215100000029 0.5377772800000002 T T T 0.1253471400000024 0.6310858699999997 0.3820429700000005 F F F 0.3761038199999973 0.6241558600000019 0.3067310899999995 F F F 0.3231833700000024 0.5968131799999981 0.6175007000000008 T T T 0.1100076999999970 0.8959195600000029 0.1466523400000028 F F F 0.0847789899999967 0.8758910900000032 0.4636329699999990 F F F 0.3561117300000021 0.8716506100000032 0.2285638600000013 F F F 0.3428408799999971 0.8393951500000014 0.5391140199999995 T T T 0.6212871199999981 0.1730968199999978 0.3867987699999986 F F F 0.8659579600000029 0.0988097400000001 0.3082702100000034 F F F 0.8134407699999997 0.1218379199999973 0.6168210000000016 T T T 0.5931576199999995 0.3689071900000016 0.1486073900000022 F F F 0.5965106800000015 0.4245866099999986 0.4610545900000034 F F F 0.8433933299999978 0.3474551700000035 0.2295562199999992 F F F 0.8348262000000020 0.3532912699999997 0.5361350599999994 T T T 0.6286658200000019 0.6787226499999974 0.3852147699999975 F F F 0.8723554099999973 0.6045265200000003 0.3051442699999996 F F F 0.8118570600000012 0.6547366400000030 0.6518437399999968 T T T 0.6004642099999984 0.8694327999999985 0.1476697800000011 F F F 0.5865308699999972 0.9247788200000002 0.4632950600000001 F F F 0.8534909199999987 0.8502067900000014 0.2265046099999992 F F F 0.8380173700000029 0.8561142699999991 0.5449513100000019 T T T 0.9644514399999977 0.3874231200000011 0.6508598400000025 T T T 0.5427601800000019 0.2208769100000012 0.6517265900000027 T T T 0.5758496300000004 0.5177935399999996 0.7162758199999999 T T T 0.0679636599999967 0.0171182200000004 0.1034224699999982 F F F 0.0778782300000032 0.0306369400000008 0.4385587700000002 F F F 0.2978498499999986 0.2426581799999994 0.2684848099999968 F F F 0.3028885499999987 0.1877911400000016 0.5524310400000019 T T T 0.1507935500000031 0.2705774599999984 0.1076716600000012 F F F 0.1525632900000033 0.2784710700000019 0.4150598100000025 F F F 0.4145498700000019 0.4914775900000024 0.2679622300000020 F F F 0.3575385800000035 0.4421652199999997 0.5967068799999993 T T T 0.4615616199999977 0.3108243000000002 0.1841621399999980 F F F 0.4448208399999984 0.3768349099999995 0.4807314299999987 F F F 0.2190948800000001 0.4374082300000026 0.1944771399999965 F F F 0.1956346799999977 0.4069254099999995 0.5139847800000013 T T T 0.2637194200000010 0.0721586700000003 0.3563705600000020 F F F 0.1508599300000029 0.0719868899999980 0.6373190899999983 T T T 0.0103929699999981 0.1465996299999972 0.3362026200000017 F F F 0.8964879999999980 0.2307678000000024 0.6581924299999997 T T T 0.0471680400000025 0.5222368000000017 0.1097856800000017 F F F 0.0672794500000009 0.5289927500000005 0.4313432699999993 F F F 0.3047027300000025 0.7440573700000002 0.2683083499999981 F F F 0.3772063999999986 0.6880432199999973 0.5635367599999981 T T T 0.1621817199999995 0.7645187700000022 0.1067302000000012 F F F 0.1404247099999978 0.7801910599999999 0.4122013400000029 F F F 0.4181342600000022 0.9941488999999990 0.2683759100000032 F F F 0.3745311699999974 0.9437081700000007 0.5915402799999967 T T T 0.4729793400000020 0.8113041800000005 0.1856697400000016 F F F 0.4362205500000016 0.8721426099999974 0.4837141400000036 F F F 0.2299005400000027 0.9368839400000013 0.1922477999999970 F F F 0.1839529000000013 0.8650739699999974 0.5196231899999972 T T T 0.2734632499999989 0.5792714099999969 0.3584980400000006 F F F 0.0251096000000004 0.6442091999999988 0.3270619600000018 F F F 0.9254907500000016 0.5399055900000036 0.6787926499999983 T T T 0.5543528099999975 0.9897168999999977 0.1045911599999982 F F F 0.5719301299999984 0.0821641200000016 0.4415777000000034 F F F 0.8138181799999984 0.1968200700000011 0.2565667000000005 F F F 0.7835866499999966 0.2002275199999985 0.5559599700000035 T T T 0.6468797799999990 0.2387298299999969 0.1083542800000004 F F F 0.6551969799999995 0.3265968999999984 0.4102889600000026 F F F 0.8754649999999984 0.4467940500000012 0.2836359799999997 F F F 0.9198129199999983 0.4288396299999988 0.5859475700000019 T T T 0.9715041099999979 0.3312276799999978 0.1859727599999985 F F F 0.9428435299999975 0.3284011100000015 0.4872031299999975 F F F 0.7126530700000018 0.4072173500000034 0.1946268599999996 F F F 0.7027920900000026 0.4362961400000032 0.5143811000000014 T T T 0.7551899999999989 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