iterations/neb0_image01_iter41_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 0.1291258799999966 0.1273574200000027 0.3857362400000000 F F F 0.3747950300000014 0.1212559700000000 0.3068719799999968 F F F 0.3021321100000023 0.0874576300000030 0.6084082599999974 T T T 0.1015050900000034 0.3948008899999991 0.1493967299999994 F F F 0.0945009300000024 0.3792549899999997 0.4622876299999987 F F F 0.3525443500000023 0.3681428900000014 0.2283499199999994 F F F 0.3461804200000032 0.3442478600000030 0.5361650500000010 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3320409999999967 0.5882788199999993 0.6185485900000032 T T T 0.1145917500000024 0.8933155699999986 0.1463037400000005 F F F 0.0893630400000021 0.8732870999999989 0.4632843699999967 F F F 0.3606957800000004 0.8690466199999989 0.2282152599999989 F F F 0.3476600899999980 0.8376518899999965 0.5394225399999968 T T T 0.6258711700000035 0.1704928300000006 0.3864501700000034 F F F 0.8705420100000012 0.0962057500000029 0.3079216100000011 F F F 0.8146651100000000 0.1212355799999969 0.6167274399999982 T T T 0.5977416699999978 0.3663031999999973 0.1482587899999999 F F F 0.6010947299999998 0.4219826200000014 0.4607059900000010 F F F 0.8479773800000032 0.3448511799999991 0.2292076199999968 F F F 0.8401784799999987 0.3526645199999976 0.5358684699999969 T T T 0.6332498700000002 0.6761186600000002 0.3848661700000022 F F F 0.8769394600000027 0.6019225300000031 0.3047956699999972 F F F 0.8179181699999987 0.6547992699999980 0.6495895799999971 T T T 0.6050482599999967 0.8668288100000012 0.1473211799999987 F F F 0.5911149200000025 0.9221748300000030 0.4629464599999977 F F F 0.8580749699999970 0.8476027999999971 0.2261560099999969 F F F 0.8431488000000016 0.8553856899999985 0.5443539600000022 T T T 0.9653841100000022 0.3856241499999982 0.6512712600000015 T T T 0.5432832199999993 0.2158858900000027 0.6474503499999997 T T T 0.5655617899999967 0.5145927399999977 0.6934347799999969 T T T 0.0725477100000020 0.0145142300000032 0.1030738700000029 F F F 0.0824622800000014 0.0280329499999965 0.4382101699999978 F F F 0.3024338999999969 0.2400541900000022 0.2681362100000015 F F F 0.2977491899999976 0.1855771600000011 0.5516766200000021 T T T 0.1553776000000013 0.2679734700000012 0.1073230599999988 F F F 0.1571473400000016 0.2758670799999976 0.4147112100000001 F F F 0.4191339200000002 0.4888735999999980 0.2676136299999996 F F F 0.3610674000000031 0.4348964200000012 0.5947624300000030 T T T 0.4661456700000031 0.3082203100000029 0.1838135400000027 F F F 0.4494048899999967 0.3742309200000022 0.4803828300000035 F F F 0.2236789299999984 0.4348042399999983 0.1941285400000012 F F F 0.2002210300000016 0.4071355100000034 0.5130484399999986 T T T 0.2683034699999993 0.0695546800000031 0.3560219599999996 F F F 0.1517636700000011 0.0682391599999974 0.6376827400000025 T T T 0.0149770200000034 0.1439956400000000 0.3358540199999993 F F F 0.8970682400000030 0.2292825399999998 0.6586479300000008 T T T 0.0517520900000008 0.5196328099999974 0.1094370799999993 F F F 0.0718634999999992 0.5263887600000032 0.4309946699999969 F F F 0.3092867800000008 0.7414533800000029 0.2679597500000028 F F F 0.3829970900000035 0.6883978199999987 0.5663957599999989 T T T 0.1667657699999978 0.7619147799999979 0.1063815999999989 F F F 0.1450087600000032 0.7775870700000027 0.4118527400000005 F F F 0.4227183100000005 0.9915449100000018 0.2680273100000008 F F F 0.3778875599999978 0.9451772099999971 0.5909744599999982 T T T 0.4775633900000003 0.8087001900000033 0.1853211399999992 F F F 0.4408045999999999 0.8695386200000002 0.4833655400000012 F F F 0.2344845900000010 0.9342799499999970 0.1918992000000017 F F F 0.1887091199999986 0.8607386799999972 0.5193664399999989 T T T 0.2780472999999972 0.5766674199999997 0.3581494399999983 F F F 0.0296936499999987 0.6416052100000016 0.3267133599999994 F F F 0.9169376799999966 0.5338233700000004 0.6799119599999983 T T T 0.5589368600000029 0.9871129100000005 0.1042425600000030 F F F 0.5765141799999967 0.0795601299999973 0.4412291000000010 F F F 0.8184022299999967 0.1942160799999968 0.2562180999999981 F F F 0.7861162299999975 0.2008992800000016 0.5561565900000005 T T T 0.6514638299999973 0.2361258399999997 0.1080056799999980 F F F 0.6597810299999978 0.3239929100000012 0.4099403600000002 F F F 0.8800490499999967 0.4441900599999968 0.2832873799999973 F F F 0.9261459399999978 0.4270131600000013 0.5857424000000009 T T T 0.9760881600000033 0.3286236900000006 0.1856241600000033 F F F 0.9474275800000029 0.3257971199999972 0.4868545300000022 F F F 0.7172371200000001 0.4046133599999990 0.1942782599999973 F F F 0.7074301500000004 0.4350051099999988 0.5142313500000029 T T T 0.7597740499999972 0.0968055399999983 0.3595579899999990 F F F 0.6677048100000036 0.0985976899999983 0.6502125800000016 T T T 0.5092300299999977 0.1852608200000034 0.3376517299999975 F F F 0.3932900699999990 0.1520174699999970 0.6613332299999968 T T T 0.5551692700000004 0.4883059599999982 0.1054498499999994 F F F 0.5888380900000030 0.5783305699999985 0.4377989999999983 F F F 0.8271269399999994 0.6949947199999968 0.2511591499999994 F F F 0.8440790300000032 0.7174135400000026 0.5847291799999965 T T T 0.6555797199999986 0.7351735200000036 0.1072418299999995 F F F 0.6494127500000033 0.8300284999999974 0.4106615399999995 F F F 0.8905374300000020 0.9439178000000013 0.2813038099999972 F F F 0.8874971600000023 0.9780441400000015 0.5936062199999981 T T T 0.9860759099999967 0.8339258199999975 0.1825967799999972 F F F 0.9376235699999995 0.8279052500000006 0.4857383100000021 F F F 0.7277440200000029 0.9088426499999969 0.1913639400000022 F F F 0.6945198599999998 0.9052537800000025 0.5189969199999993 T T T 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