iterations/neb0_image02_iter6_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 0.1282090699999969 0.1278782199999995 0.3858059599999990 F F F 0.3738782200000017 0.1217767699999968 0.3069417000000030 F F F 0.3029773399999982 0.0879537499999969 0.6087114099999980 T T T 0.1005882799999966 0.3953216900000029 0.1494664499999985 F F F 0.0935841200000027 0.3797757899999965 0.4623573499999978 F F F 0.3516275400000026 0.3686636899999982 0.2284196399999985 F F F 0.3451529800000017 0.3452919899999998 0.5362748900000014 T T T 0.1290143800000010 0.6290026799999993 0.3817640899999972 F F F 0.3797710600000030 0.6220726700000014 0.3064522100000033 F F F 0.3275330600000004 0.5900360300000003 0.6171664600000000 T T T 0.1136749400000028 0.8938363700000025 0.1463734599999995 F F F 0.0884462300000024 0.8738079000000027 0.4633540900000028 F F F 0.3597789700000007 0.8695674200000028 0.2282849799999980 F F F 0.3460290900000018 0.8388601300000005 0.5391246200000026 T T T 0.6249543599999967 0.1710136299999974 0.3865198900000024 F F F 0.8696252000000015 0.0967265499999996 0.3079913300000001 F F F 0.8143718500000006 0.1209592299999969 0.6167123900000036 T T T 0.5968248599999981 0.3668240000000011 0.1483285099999989 F F F 0.6001779200000001 0.4225034199999982 0.4607757100000001 F F F 0.8470605699999965 0.3453719800000030 0.2292773400000030 F F F 0.8389308599999978 0.3524895899999976 0.5359020499999971 T T T 0.6323330600000006 0.6766394599999970 0.3849358900000013 F F F 0.8760226500000030 0.6024433299999998 0.3048653900000033 F F F 0.8168818199999990 0.6553101599999991 0.6502224899999973 T T T 0.6041314499999970 0.8673496099999980 0.1473908999999978 F F F 0.5901981100000029 0.9226956299999998 0.4630161799999968 F F F 0.8571581599999973 0.8481236000000010 0.2262257300000030 F F F 0.8417091700000014 0.8549476999999968 0.5445427599999988 T T T 0.9650351000000015 0.3859007800000001 0.6511621499999976 T T T 0.5436066600000018 0.2167264300000014 0.6485062200000016 T T T 0.5692705000000018 0.5115055099999992 0.6956729199999998 T T T 0.0716309000000024 0.0150350299999999 0.1031435900000020 F F F 0.0815454700000018 0.0285537500000004 0.4382798899999969 F F F 0.3015170899999973 0.2405749899999989 0.2682059300000006 F F F 0.2986241300000003 0.1861894800000030 0.5520548499999975 T T T 0.1544607900000017 0.2684942699999979 0.1073927799999979 F F F 0.1562305300000020 0.2763878800000015 0.4147809299999992 F F F 0.4182171100000005 0.4893944000000019 0.2676833499999987 F F F 0.3592188900000011 0.4358427800000015 0.5944383799999997 T T T 0.4652288600000034 0.3087411099999997 0.1838832600000018 F F F 0.4484880799999971 0.3747517199999990 0.4804525500000025 F F F 0.2227621199999987 0.4353250400000022 0.1941982600000003 F F F 0.1989273200000028 0.4071512100000021 0.5131200499999977 T T T 0.2673866599999997 0.0700754799999999 0.3560916799999987 F F F 0.1522276999999974 0.0685966400000027 0.6378131700000012 T T T 0.0140602099999967 0.1445164399999967 0.3359237399999984 F F F 0.8975052600000026 0.2289152399999992 0.6585401700000020 T T T 0.0508352800000011 0.5201536100000013 0.1095067999999983 F F F 0.0709466899999995 0.5269095600000000 0.4310643900000031 F F F 0.3083699700000011 0.7419741799999997 0.2680294700000019 F F F 0.3789528699999991 0.6880385999999987 0.5640808300000018 T T T 0.1658489599999982 0.7624355800000018 0.1064513199999979 F F F 0.1440919500000035 0.7781078699999995 0.4119224599999995 F F F 0.4218015000000008 0.9920657099999985 0.2680970299999998 F F F 0.3772233500000013 0.9449413199999981 0.5911928399999979 T T T 0.4766465800000006 0.8092209900000000 0.1853908599999983 F F F 0.4398877900000002 0.8700594199999969 0.4834352600000003 F F F 0.2335677800000013 0.9348007500000008 0.1919689200000008 F F F 0.1870726200000021 0.8627632800000029 0.5194059700000011 T T T 0.2771304899999976 0.5771882199999965 0.3582191599999973 F F F 0.0287768399999990 0.6421260099999984 0.3267830799999984 F F F 0.9182019599999975 0.5350577099999967 0.6793969799999999 T T T 0.5580200500000032 0.9876337099999972 0.1043122800000020 F F F 0.5755973699999970 0.0800809300000012 0.4412988200000001 F F F 0.8174854199999970 0.1947368800000007 0.2562878199999972 F F F 0.7853263299999966 0.2004710200000019 0.5561745600000023 T T T 0.6505470199999976 0.2366466399999965 0.1080753999999970 F F F 0.6588642199999981 0.3245137099999980 0.4100100799999993 F F F 0.8791322399999970 0.4447108600000007 0.2833571000000035 F F F 0.9244613400000006 0.4268545799999970 0.5858228900000029 T T T 0.9751713499999966 0.3291444899999973 0.1856938800000023 F F F 0.9465107700000033 0.3263179200000010 0.4869242500000013 F F F 0.7163203100000004 0.4051341600000029 0.1943479800000034 F F F 0.7062142799999975 0.4349782800000028 0.5143694599999975 T T T 0.7588572399999975 0.0973263400000022 0.3596277099999980 F F F 0.6677180599999986 0.0990883099999991 0.6506060700000020 T T T 0.5083132199999980 0.1857816200000002 0.3377214499999965 F F F 0.3938482000000008 0.1523620899999969 0.6617519300000012 T T T 0.5542524600000007 0.4888267600000020 0.1055195699999985 F F F 0.5879212800000033 0.5788513700000024 0.4378687199999973 F F F 0.8262101299999998 0.6955155200000007 0.2512288699999985 F F F 0.8399154100000032 0.7171401900000021 0.5851577299999988 T T T 0.6546629099999990 0.7356943200000003 0.1073115499999986 F F F 0.6484959399999966 0.8305493000000013 0.4107312599999986 F F F 0.8896206200000023 0.9444385999999980 0.2813735300000033 F F F 0.8869025799999974 0.9775899400000014 0.5936788500000034 T T T 0.9851590999999971 0.8344466200000014 0.1826665000000034 F F F 0.9367067599999999 0.8284260499999974 0.4858080300000012 F F F 0.7268272100000033 0.9093634500000007 0.1914336600000013 F F F 0.6934782200000029 0.9056312199999965 0.5190555100000012 T T T 0.7762729499999992 0.6218514400000004 0.3595773600000030 F F F 0.6684056100000006 0.5803337099999979 0.6490341000000015 T T T 0.5202385500000020 0.6812720499999969 0.3340168100000014 F F F 0.4148330000000016 0.5928582299999974 0.6787701599999991 T T T 0.5704832300000007 0.3438543700000025 0.6908802700000010 T T T 0.5397080500000015 0.2634661299999976 0.5808693600000012 T T T 0.8274147400000018 0.7769009399999973 0.6982023400000017 T T T 0.1207852599999981 0.3669910099999996 0.6741728699999996 T T T 0.1696702500000029 0.6428591999999966 0.6290333000000032 T T T 0.6306046400000014 0.5325772300000011 0.7606234900000004 T T T 0.3722424999999987 0.6862316200000009 0.7926802499999965 T T T 0.1032091699999995 0.1118916799999994 0.1072520700000013 F F F 0.1997822100000022 0.2976471599999968 0.0725314800000021 F F F 0.0959973699999992 0.6119308399999994 0.1095470300000017 F F F 0.2100961599999991 0.7879573100000030 0.0708501299999966 F F F 0.5924138999999968 0.0837624600000026 0.1080293799999978 F F F 0.6891573600000029 0.2638954700000014 0.0715723499999967 F F F 0.5926842100000016 0.5834647599999983 0.1083013900000012 F F F 0.6946460699999975 0.7616295300000004 0.0708956599999979 F F F 0.6149218700000034 0.2244149500000034 0.5580988700000020 T T T 0.0820784399999965 0.0118925900000022 0.6195915699999972 T T T 0.7664834999999997 0.8552538599999977 0.6942151900000013 T T T 0.1500346799999974 0.2709991799999969 0.6762122499999990 T T T 0.1275541199999992 0.6100915600000008 0.6642186699999968 T T T 0.7275096899999980 0.5343470299999993 0.7722330900000003 T T T 0.4680867599999985 0.6318568100000022 0.8047585600000033 T T T 0.3398670899999985 0.6985731199999989 0.7527844700000017 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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