iterations/neb0_image01_iter20_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
  0.3023845900000026  0.0875985600000035  0.6085528899999986   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
  0.3460250099999982  0.3444560300000035  0.5361361200000019   T   T   T
  0.1299311900000006  0.6284818800000025  0.3816943699999982   F   F   F
  0.3806878700000027  0.6215518699999976  0.3063824899999972   F   F   F
  0.3306126800000015  0.5888051200000035  0.6181223500000002   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
  0.3471029800000025  0.8382487000000012  0.5392424500000033   T   T   T
  0.6258711700000035  0.1704928300000006  0.3864501700000034   F   F   F
  0.8705420100000012  0.0962057500000029  0.3079216100000011   F   F   F
  0.8147385700000029  0.1210005900000013  0.6167335600000001   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
  0.8399728400000015  0.3523633799999999  0.5358135700000020   T   T   T
  0.6332498700000002  0.6761186600000002  0.3848661700000022   F   F   F
  0.8769394600000027  0.6019225300000031  0.3047956699999972   F   F   F
  0.8171833399999997  0.6548345300000022  0.6498692600000027   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
  0.8428201600000023  0.8549872800000031  0.5443905699999974   T   T   T
  0.9651198099999974  0.3855275399999982  0.6512666899999999   T   T   T
  0.5433006599999999  0.2165103399999992  0.6477816200000035   T   T   T
  0.5660057500000022  0.5151659499999965  0.6944895600000009   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
  0.2977274799999989  0.1856951899999970  0.5518124600000007   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
  0.3601274000000032  0.4353198100000029  0.5946016600000021   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
  0.2000674299999972  0.4072522499999991  0.5130214499999965   T   T   T
  0.2683034699999993  0.0695546800000031  0.3560219599999996   F   F   F
  0.1521870500000020  0.0678430500000005  0.6379263299999991   T   T   T
  0.0149770200000034  0.1439956400000000  0.3358540199999993   F   F   F
  0.8975510699999987  0.2287940699999993  0.6586370599999967   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
  0.3801349399999978  0.6880089699999985  0.5654389399999999   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
  0.3779982399999966  0.9451687099999972  0.5910183200000034   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
  0.1881159599999975  0.8619150399999995  0.5194394199999977   T   T   T
  0.2780472999999972  0.5766674199999997  0.3581494399999983   F   F   F
  0.0296936499999987  0.6416052100000016  0.3267133599999994   F   F   F
  0.9164973700000019  0.5337024600000007  0.6799644399999991   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
  0.7859138999999971  0.2005831800000024  0.5561762600000009   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
  0.9259512000000001  0.4265656199999981  0.5857254699999999   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
  0.7072361700000016  0.4348414500000004  0.5142873200000011   T   T   T
  0.7597740499999972  0.0968055399999983  0.3595579899999990   F   F   F
  0.6677483799999990  0.0989409900000027  0.6504268699999969   T   T   T
  0.5092300299999977  0.1852608200000034  0.3376517299999975   F   F   F
  0.3932664000000017  0.1523889500000024  0.6614926299999979   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
  0.8426085500000013  0.7170926100000017  0.5848366199999973   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
  0.8871670099999989  0.9776307200000005  0.5936811099999986   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
  0.6943104200000008  0.9052159900000021  0.5190046100000032   T   T   T
  0.7771897599999988  0.6213306399999965  0.3595076399999968   F   F   F
  0.6670202299999985  0.5813484600000010  0.6461186499999982   T   T   T
  0.5211553600000016  0.6807512500000001  0.3339470900000023   F   F   F
  0.4174139499999967  0.5879861800000015  0.6793702699999997   T   T   T
  0.5699871799999983  0.3471220400000021  0.6890405199999989   T   T   T
  0.5388960699999998  0.2614978499999978  0.5796782500000006   T   T   T
  0.8272188999999983  0.7763290899999973  0.6980817700000017   T   T   T
  0.1210038099999977  0.3672100900000004  0.6744280699999976   T   T   T
  0.1746679000000029  0.6412912600000027  0.6308135600000000   T   T   T
  0.6121590600000033  0.5481042999999985  0.7605481499999982   T   T   T
  0.3605070799999979  0.6962288000000001  0.8003424699999968   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
  0.6153120199999975  0.2233870900000028  0.5572835400000002   T   T   T
  0.0819962799999985  0.0111141399999966  0.6197447099999991   T   T   T
  0.7661781700000034  0.8547393599999964  0.6941887699999967   T   T   T
  0.1506933300000028  0.2714286400000034  0.6766948799999994   T   T   T
  0.1300579700000029  0.6094541100000015  0.6655519199999986   T   T   T
  0.7082482400000032  0.5388023499999974  0.7708573900000033   T   T   T
  0.4458971099999971  0.6470737000000000  0.7999640399999990   T   T   T
  0.3422108299999991  0.6960442299999983  0.7580803399999994   T   T   T
 
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