iterations/neb0_image02_iter2_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 0.3029042100000012 0.0879544699999997 0.6087399000000033 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 0.3453346100000019 0.3449646299999998 0.5361720699999992 T T T 0.1290143800000010 0.6290026799999993 0.3817640899999972 F F F 0.3797710600000030 0.6220726700000014 0.3064522100000033 F F F 0.3262238699999997 0.5901675499999968 0.6166848599999994 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 0.3461669000000001 0.8389066800000009 0.5390900800000011 T T T 0.6249543599999967 0.1710136299999974 0.3865198900000024 F F F 0.8696252000000015 0.0967265499999996 0.3079913300000001 F F F 0.8144171499999970 0.1209910099999973 0.6167655100000005 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 0.8390651400000024 0.3524541000000028 0.5359317099999998 T T T 0.6323330600000006 0.6766394599999970 0.3849358900000013 F F F 0.8760226500000030 0.6024433299999998 0.3048653900000033 F F F 0.8164170900000016 0.6548525799999965 0.6502361100000016 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 0.8418528300000006 0.8548778099999979 0.5445828100000014 T T T 0.9647680500000035 0.3858905900000025 0.6512791800000031 T T T 0.5439212599999976 0.2174393700000010 0.6485852599999973 T T T 0.5762656699999980 0.5096179599999999 0.6985371399999991 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 0.2983348599999971 0.1862434399999984 0.5520578100000009 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 0.3594820400000032 0.4361802800000021 0.5946122000000003 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 0.1992129300000016 0.4071960500000031 0.5131121300000032 T T T 0.2673866599999997 0.0700754799999999 0.3560916799999987 F F F 0.1523682600000029 0.0683718900000017 0.6378103999999993 T T T 0.0140602099999967 0.1445164399999967 0.3359237399999984 F F F 0.8976318699999979 0.2287440200000006 0.6585247599999988 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 0.3791389100000018 0.6879335100000006 0.5642717200000007 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 0.3773673800000026 0.9449265300000036 0.5911765999999972 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 0.1873395400000035 0.8625808600000013 0.5194145700000021 T T T 0.2771304899999976 0.5771882199999965 0.3582191599999973 F F F 0.0287768399999990 0.6421260099999984 0.3267830799999984 F F F 0.9176852000000011 0.5349518900000021 0.6792741499999977 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 0.7854052799999991 0.2004771100000013 0.5561775799999964 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 0.9247893200000021 0.4267836000000003 0.5858408300000022 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 0.7063607999999988 0.4348851600000003 0.5143523099999996 T T T 0.7588572399999975 0.0973263400000022 0.3596277099999980 F F F 0.6676411799999968 0.0991774000000021 0.6505463700000007 T T T 0.5083132199999980 0.1857816200000002 0.3377214499999965 F F F 0.3938197599999995 0.1524903199999983 0.6616655400000013 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 0.8403532299999981 0.7170405900000034 0.5851575399999973 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 0.8869583800000029 0.9775018899999992 0.5936628899999974 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 0.6936338399999968 0.9055438500000008 0.5190374700000007 T T T 0.7762729499999992 0.6218514400000004 0.3595773600000030 F F F 0.6675837800000011 0.5803000599999990 0.6493257699999972 T T T 0.5202385500000020 0.6812720499999969 0.3340168100000014 F F F 0.4099348800000016 0.5948155499999999 0.6777349700000030 T T T 0.5707643699999991 0.3458832299999983 0.6907733899999968 T T T 0.5395567799999981 0.2629682500000001 0.5807345999999995 T T T 0.8272991700000034 0.7767261899999980 0.6981340199999977 T T T 0.1208386899999994 0.3670478100000025 0.6742215599999994 T T T 0.1699606600000010 0.6425067799999979 0.6292673600000001 T T T 0.6312710199999998 0.5334627599999990 0.7584967299999974 T T T 0.3823462499999977 0.6812402300000002 0.7960714199999970 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 0.6148576800000001 0.2242044699999965 0.5579807800000012 T T T 0.0820795599999968 0.0117081400000032 0.6196271999999965 T T T 0.7663744800000032 0.8550887700000018 0.6941677100000021 T T T 0.1501140599999999 0.2711160200000009 0.6763126099999965 T T T 0.1281173899999999 0.6099227500000026 0.6644373800000025 T T T 0.7194829999999968 0.5350733200000022 0.7717174300000025 T T T 0.4589206200000007 0.6380055699999971 0.8053783300000035 T T T 0.3315930699999967 0.7024239599999973 0.7503019199999983 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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