iterations/neb0_image01_iter73_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
  0.3016799099999972  0.0878194499999978  0.6082093799999981   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
  0.3459958899999975  0.3439365199999997  0.5358833900000022   T   T   T
  0.1299311900000006  0.6284818800000025  0.3816943699999982   F   F   F
  0.3806878700000027  0.6215518699999976  0.3063824899999972   F   F   F
  0.3320329299999969  0.5886116300000026  0.6182673100000002   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
  0.3478714999999966  0.8376668800000004  0.5393393599999996   T   T   T
  0.6258711700000035  0.1704928300000006  0.3864501700000034   F   F   F
  0.8705420100000012  0.0962057500000029  0.3079216100000011   F   F   F
  0.8151577599999982  0.1213825800000023  0.6166527099999968   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
  0.8404934400000030  0.3532812999999990  0.5359110699999974   T   T   T
  0.6332498700000002  0.6761186600000002  0.3848661700000022   F   F   F
  0.8769394600000027  0.6019225300000031  0.3047956699999972   F   F   F
  0.8186679200000029  0.6541321199999999  0.6492658299999974   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
  0.8435697500000003  0.8556057400000014  0.5443459999999973   T   T   T
  0.9658415099999971  0.3857137999999978  0.6512474700000013   T   T   T
  0.5438723999999979  0.2151846399999968  0.6469517999999965   T   T   T
  0.5665549200000015  0.5143872700000003  0.6921000800000030   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
  0.2965764300000018  0.1856011899999999  0.5513904100000033   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
  0.3607239199999981  0.4351497299999991  0.5943628899999993   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
  0.2002513099999987  0.4074999400000010  0.5129267599999991   T   T   T
  0.2683034699999993  0.0695546800000031  0.3560219599999996   F   F   F
  0.1512820299999973  0.0684992799999975  0.6374494299999967   T   T   T
  0.0149770200000034  0.1439956400000000  0.3358540199999993   F   F   F
  0.8968102600000023  0.2295995599999969  0.6587437199999968   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
  0.3841084399999986  0.6887430700000010  0.5664195100000029   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
  0.3774014399999999  0.9454958500000004  0.5908369300000018   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
  0.1887138299999975  0.8585030300000014  0.5192389400000010   T   T   T
  0.2780472999999972  0.5766674199999997  0.3581494399999983   F   F   F
  0.0296936499999987  0.6416052100000016  0.3267133599999994   F   F   F
  0.9174881300000024  0.5335455199999970  0.6799542799999969   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
  0.7864186199999992  0.2015824400000028  0.5562535700000026   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
  0.9272688100000011  0.4271844599999994  0.5856396000000004   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
  0.7074909899999966  0.4352605999999994  0.5142585800000035   T   T   T
  0.7597740499999972  0.0968055399999983  0.3595579899999990   F   F   F
  0.6679162000000005  0.0974937900000015  0.6498003900000029   T   T   T
  0.5092300299999977  0.1852608200000034  0.3376517299999975   F   F   F
  0.3932044599999998  0.1527813699999996  0.6609656600000022   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
  0.8460054199999973  0.7177635299999992  0.5846489700000035   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
  0.8883760100000018  0.9784869900000004  0.5933956200000026   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
  0.6946718800000014  0.9052329299999968  0.5190117499999971   T   T   T
  0.7771897599999988  0.6213306399999965  0.3595076399999968   F   F   F
  0.6699370700000031  0.5784091299999972  0.6440547600000031   T   T   T
  0.5211553600000016  0.6807512500000001  0.3339470900000023   F   F   F
  0.4187881699999991  0.5864794900000021  0.6789788999999971   T   T   T
  0.5735363699999994  0.3460194000000030  0.6878325899999993   T   T   T
  0.5381515300000004  0.2583624099999966  0.5786440899999974   T   T   T
  0.8262220599999992  0.7743726100000003  0.6979284700000008   T   T   T
  0.1220166900000024  0.3665932600000019  0.6740433900000014   T   T   T
  0.1780416799999998  0.6440896000000009  0.6331019900000001   T   T   T
  0.6078389600000023  0.5559928200000002  0.7577520099999973   T   T   T
  0.3651656099999983  0.6929846900000030  0.8000710499999997   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
  0.6161445899999975  0.2230162600000014  0.5563548599999990   T   T   T
  0.0807542900000016  0.0114156699999981  0.6196325700000003   T   T   T
  0.7669674500000028  0.8540491199999991  0.6943258200000031   T   T   T
  0.1512071100000014  0.2706745099999992  0.6765020500000034   T   T   T
  0.1353921999999983  0.6089745299999976  0.6677626199999978   T   T   T
  0.7021119799999980  0.5412992400000007  0.7697675499999974   T   T   T
  0.4534899900000013  0.6461802999999975  0.8016900000000007   T   T   T
  0.3462520900000001  0.6936505899999972  0.7589738900000000   T   T   T
 
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