iterations/neb0_image02_iter64_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 0.3011808899999977 0.0874280800000022 0.6081549800000019 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 0.3451163399999970 0.3446313399999994 0.5361110899999986 T T T 0.1290143800000010 0.6290026799999993 0.3817640899999972 F F F 0.3797710600000030 0.6220726700000014 0.3064522100000033 F F F 0.3343793700000006 0.5891064200000002 0.6189085800000029 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 0.3473238400000014 0.8371663300000023 0.5394353499999980 T T T 0.6249543599999967 0.1710136299999974 0.3865198900000024 F F F 0.8696252000000015 0.0967265499999996 0.3079913300000001 F F F 0.8146887600000028 0.1218701999999965 0.6167797100000030 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 0.8393793999999986 0.3536441700000026 0.5359390799999986 T T T 0.6323330600000006 0.6766394599999970 0.3849358900000013 F F F 0.8760226500000030 0.6024433299999998 0.3048653900000033 F F F 0.8200261699999984 0.6543702199999970 0.6493199200000035 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 0.8428214999999994 0.8561214300000017 0.5444622099999989 T T T 0.9662013100000024 0.3863262500000033 0.6510982499999969 T T T 0.5434938499999973 0.2134317200000027 0.6473683899999969 T T T 0.5711832499999971 0.5107040199999986 0.6927060800000007 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 0.2978780299999997 0.1858160499999997 0.5514608200000026 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 0.3600855800000033 0.4357237800000036 0.5946311699999995 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 0.1991942599999987 0.4072965599999989 0.5131741499999976 T T T 0.2673866599999997 0.0700754799999999 0.3560916799999987 F F F 0.1500930400000016 0.0697639699999968 0.6369255500000008 T T T 0.0140602099999967 0.1445164399999967 0.3359237399999984 F F F 0.8958346499999976 0.2307515299999991 0.6588211099999981 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 0.3864160899999973 0.6888584399999971 0.5667877699999977 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 0.3761908199999979 0.9449213299999997 0.5909242000000035 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 0.1882755900000035 0.8573660899999993 0.5191817899999975 T T T 0.2771304899999976 0.5771882199999965 0.3582191599999973 F F F 0.0287768399999990 0.6421260099999984 0.3267830799999984 F F F 0.9220598899999999 0.5358786700000024 0.6797194399999995 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 0.7860074100000034 0.2016993200000030 0.5562474700000024 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 0.9256602600000008 0.4280005999999972 0.5857368100000002 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 0.7064719299999993 0.4356768700000018 0.5143248799999967 T T T 0.7588572399999975 0.0973263400000022 0.3596277099999980 F F F 0.6678892600000026 0.0961933299999984 0.6498250200000015 T T T 0.5083132199999980 0.1857816200000002 0.3377214499999965 F F F 0.3928233500000005 0.1505767399999982 0.6610997200000028 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 0.8453840800000023 0.7186285599999991 0.5847583899999975 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 0.8882123599999971 0.9790322500000030 0.5934149099999999 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 0.6939200300000010 0.9059578999999971 0.5191595699999993 T T T 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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 0.6163590000000028 0.2238259700000000 0.5570407499999988 T T T 0.0795806200000015 0.0122933900000035 0.6192957800000016 T T T 0.7680851200000021 0.8548837900000024 0.6944987800000035 T T T 0.1505306299999987 0.2691667499999966 0.6755743900000013 T T T 0.1329971700000030 0.6089625299999994 0.6665924500000031 T T T 0.7190746200000007 0.5380156100000022 0.7659508300000013 T T T 0.4716687900000025 0.6330282199999999 0.8003734999999992 T T T 0.3703680100000000 0.6786367400000017 0.7551970900000029 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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