iterations/neb0_image02_iter9_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 0.3029191199999985 0.0880021500000012 0.6087630299999987 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 0.3449420999999973 0.3452562800000010 0.5361620299999998 T T T 0.1290143800000010 0.6290026799999993 0.3817640899999972 F F F 0.3797710600000030 0.6220726700000014 0.3064522100000033 F F F 0.3289879100000022 0.5900118899999995 0.6177906799999988 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 0.3457995600000032 0.8391558699999990 0.5390808100000015 T T T 0.6249543599999967 0.1710136299999974 0.3865198900000024 F F F 0.8696252000000015 0.0967265499999996 0.3079913300000001 F F F 0.8143003300000018 0.1210230699999997 0.6167375699999980 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 0.8388180500000004 0.3524775500000032 0.5358627800000022 T T T 0.6323330600000006 0.6766394599999970 0.3849358900000013 F F F 0.8760226500000030 0.6024433299999998 0.3048653900000033 F F F 0.8176534500000017 0.6557088300000018 0.6503314099999997 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 0.8416253099999977 0.8550697200000030 0.5445076000000029 T T T 0.9650980799999971 0.3859529300000020 0.6510727300000028 T T T 0.5434286899999989 0.2155771899999976 0.6483931100000007 T T T 0.5631348699999990 0.5136239200000006 0.6945288900000008 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 0.2989758100000017 0.1862127099999995 0.5520221900000024 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 0.3589684000000020 0.4361105099999989 0.5945267600000008 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 0.1987500899999972 0.4071156899999977 0.5131814100000014 T T T 0.2673866599999997 0.0700754799999999 0.3560916799999987 F F F 0.1521498600000015 0.0688838700000005 0.6377986899999968 T T T 0.0140602099999967 0.1445164399999967 0.3359237399999984 F F F 0.8973544099999984 0.2291136600000030 0.6585274800000036 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 0.3788020000000003 0.6875815100000011 0.5641598200000004 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 0.3771033599999996 0.9448293700000008 0.5911878200000018 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 0.1869431100000014 0.8629233500000026 0.5194448399999985 T T T 0.2771304899999976 0.5771882199999965 0.3582191599999973 F F F 0.0287768399999990 0.6421260099999984 0.3267830799999984 F F F 0.9188161900000011 0.5351709899999975 0.6795217199999968 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 0.7852416200000008 0.2005092099999999 0.5561355999999975 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 0.9241214700000029 0.4269712299999995 0.5857700600000015 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 0.7060753499999990 0.4350961499999997 0.5143912500000027 T T T 0.7588572399999975 0.0973263400000022 0.3596277099999980 F F F 0.6678850699999970 0.0988415699999976 0.6506269099999997 T T T 0.5083132199999980 0.1857816200000002 0.3377214499999965 F F F 0.3935016200000021 0.1519615400000021 0.6617876999999979 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 0.8395239800000027 0.7173718600000001 0.5850678199999990 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 0.8868593400000009 0.9776074700000024 0.5936650900000018 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 0.6933161099999978 0.9057184999999990 0.5190770099999966 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 0.6150023599999983 0.2246620199999967 0.5582197900000025 T T T 0.0820503200000005 0.0120938199999969 0.6195507199999994 T T T 0.7666162399999976 0.8554604699999970 0.6942850900000010 T T T 0.1499538999999999 0.2708692599999978 0.6761044499999969 T T T 0.1268796499999993 0.6103351000000004 0.6639816599999975 T T T 0.7323195399999989 0.5335309499999994 0.7719029200000023 T T T 0.4667035900000016 0.6315771299999966 0.8022368999999969 T T T 0.3487787899999972 0.6941508499999998 0.7540768300000025 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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