iterations/neb0_image01_iter69_CONTCAR output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running

No 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
  0.3017394199999970  0.0877451799999989  0.6082219400000000   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
  0.3460181800000015  0.3440215500000008  0.5359298899999985   T   T   T
  0.1299311900000006  0.6284818800000025  0.3816943699999982   F   F   F
  0.3806878700000027  0.6215518699999976  0.3063824899999972   F   F   F
  0.3317940199999967  0.5887243000000026  0.6182950399999996   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
  0.3479495400000019  0.8375927100000027  0.5393559400000001   T   T   T
  0.6258711700000035  0.1704928300000006  0.3864501700000034   F   F   F
  0.8705420100000012  0.0962057500000029  0.3079216100000011   F   F   F
  0.8151523900000015  0.1213201899999987  0.6166362599999999   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
  0.8404519699999966  0.3532358599999981  0.5358953200000016   T   T   T
  0.6332498700000002  0.6761186600000002  0.3848661700000022   F   F   F
  0.8769394600000027  0.6019225300000031  0.3047956699999972   F   F   F
  0.8185465399999998  0.6542648100000008  0.6493262600000023   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
  0.8435072199999993  0.8555178399999974  0.5443557400000003   T   T   T
  0.9657761200000010  0.3857379900000026  0.6512628799999973   T   T   T
  0.5438006500000014  0.2152699600000005  0.6470355599999991   T   T   T
  0.5665404100000018  0.5143572300000017  0.6923001299999996   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
  0.2967575699999969  0.1855384500000028  0.5514476099999968   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
  0.3607015999999987  0.4351509800000031  0.5943745499999977   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
  0.2002356699999979  0.4074232899999970  0.5129288199999991   T   T   T
  0.2683034699999993  0.0695546800000031  0.3560219599999996   F   F   F
  0.1513364799999977  0.0684571600000012  0.6374589099999994   T   T   T
  0.0149770200000034  0.1439956400000000  0.3358540199999993   F   F   F
  0.8968185700000006  0.2295705100000021  0.6587403199999997   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
  0.3840880699999971  0.6887947999999966  0.5664123000000032   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
  0.3774911900000006  0.9454942599999967  0.5908749099999966   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
  0.1887156599999997  0.8585978999999995  0.5192164600000027   T   T   T
  0.2780472999999972  0.5766674199999997  0.3581494399999983   F   F   F
  0.0296936499999987  0.6416052100000016  0.3267133599999994   F   F   F
  0.9174949800000007  0.5336544500000002  0.6799336699999969   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
  0.7863789000000025  0.2014657499999970  0.5562566799999971   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
  0.9271352700000008  0.4271487399999998  0.5856522600000034   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
  0.7074874400000013  0.4352467200000021  0.5142638499999990   T   T   T
  0.7597740499999972  0.0968055399999983  0.3595579899999990   F   F   F
  0.6678404000000029  0.0975806200000022  0.6498414799999992   T   T   T
  0.5092300299999977  0.1852608200000034  0.3376517299999975   F   F   F
  0.3933039300000019  0.1527268700000022  0.6610049900000021   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
  0.8457457299999973  0.7176710999999969  0.5847096800000031   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
  0.8882682200000005  0.9784496500000017  0.5934311800000032   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
  0.6946900200000030  0.9052489600000015  0.5190163700000028   T   T   T
  0.7771897599999988  0.6213306399999965  0.3595076399999968   F   F   F
  0.6696537099999986  0.5785491999999977  0.6442773200000005   T   T   T
  0.5211553600000016  0.6807512500000001  0.3339470900000023   F   F   F
  0.4185632000000012  0.5865369400000020  0.6790530399999994   T   T   T
  0.5732926100000029  0.3460856299999975  0.6879675300000017   T   T   T
  0.5382917199999966  0.2586278300000018  0.5787502200000034   T   T   T
  0.8263746800000007  0.7745867599999983  0.6979176500000008   T   T   T
  0.1219109700000018  0.3666316400000014  0.6740668699999972   T   T   T
  0.1778031899999988  0.6440914499999977  0.6329784699999976   T   T   T
  0.6080743500000025  0.5554020300000033  0.7579192899999967   T   T   T
  0.3647772599999968  0.6931344799999977  0.7996987200000021   T   T   T
  0.1041259799999992  0.1113708800000026  0.1071823500000022   F   F   F
  0.2006990200000018  0.2971263600000000  0.0724617600000030   F   F   F
  0.0969141799999989  0.6114100400000027  0.1094773100000026   F   F   F
  0.2110129699999987  0.7874365099999991  0.0707804099999976   F   F   F
  0.5933307100000036  0.0832416599999988  0.1079596599999988   F   F   F
  0.6900741700000026  0.2633746699999975  0.0715026299999977   F   F   F
  0.5936010200000013  0.5829439600000015  0.1082316700000021   F   F   F
  0.6955628799999971  0.7611087299999966  0.0708259399999989   F   F   F
  0.6161283300000022  0.2230659599999996  0.5564388000000022   T   T   T
  0.0807963700000016  0.0113784099999990  0.6196460600000009   T   T   T
  0.7669858399999967  0.8541472200000015  0.6943501599999991   T   T   T
  0.1511429099999972  0.2707357000000030  0.6765222699999995   T   T   T
  0.1348097500000023  0.6089239300000031  0.6675344499999980   T   T   T
  0.7025860099999974  0.5409865600000003  0.7697689199999971   T   T   T
  0.4529270700000012  0.6460621499999988  0.8014805800000033   T   T   T
  0.3462469600000020  0.6938020300000005  0.7591103900000036   T   T   T
 
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