./iterations/neb0_image01_iter4_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
  0.3027210400000016  0.0877231799999976  0.6086270799999980   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
  0.3460148300000014  0.3442413699999989  0.5360647999999983   T   T   T
  0.1299311900000006  0.6284818800000025  0.3816943699999982   F   F   F
  0.3806878700000027  0.6215518699999976  0.3063824899999972   F   F   F
  0.3277011500000029  0.5890514999999965  0.6171644400000034   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
  0.3471257100000003  0.8385592599999967  0.5391665499999974   T   T   T
  0.6258711700000035  0.1704928300000006  0.3864501700000034   F   F   F
  0.8705420100000012  0.0962057500000029  0.3079216100000011   F   F   F
  0.8146881799999974  0.1208608800000022  0.6167854300000002   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
  0.8401094099999966  0.3522713400000015  0.5358935799999998   T   T   T
  0.6332498700000002  0.6761186600000002  0.3848661700000022   F   F   F
  0.8769394600000027  0.6019225300000031  0.3047956699999972   F   F   F
  0.8165322600000025  0.6545802999999992  0.6498401099999995   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
  0.8428775599999980  0.8546622499999970  0.5444834500000013   T   T   T
  0.9648960800000026  0.3854691399999979  0.6513589400000015   T   T   T
  0.5436357700000016  0.2175582500000033  0.6478840300000002   T   T   T
  0.5663139500000014  0.5147547899999978  0.6947870799999976   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
  0.2970369199999965  0.1858881400000030  0.5519251999999994   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
  0.3602970499999998  0.4352923599999983  0.5944232599999992   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
  0.2002898599999980  0.4073861199999982  0.5128892700000023   T   T   T
  0.2683034699999993  0.0695546800000031  0.3560219599999996   F   F   F
  0.1525341299999994  0.0673385099999990  0.6379622999999981   T   T   T
  0.0149770200000034  0.1439956400000000  0.3358540199999993   F   F   F
  0.8978562599999975  0.2284150600000032  0.6586811700000013   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
  0.3798263199999994  0.6879794399999994  0.5648453800000013   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
  0.3781721200000021  0.9452384399999971  0.5910309799999993   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
  0.1882262800000021  0.8618149400000021  0.5193442500000032   T   T   T
  0.2780472999999972  0.5766674199999997  0.3581494399999983   F   F   F
  0.0296936499999987  0.6416052100000016  0.3267133599999994   F   F   F
  0.9152726200000032  0.5332868799999986  0.6796790400000035   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
  0.7860405999999998  0.2005141499999965  0.5562373699999981   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
  0.9262701600000014  0.4262758500000032  0.5857515300000031   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
  0.7072949300000033  0.4345827599999978  0.5142919999999975   T   T   T
  0.7597740499999972  0.0968055399999983  0.3595579899999990   F   F   F
  0.6675888199999989  0.0996964100000000  0.6504304899999980   T   T   T
  0.5092300299999977  0.1852608200000034  0.3376517299999975   F   F   F
  0.3936656999999997  0.1531793400000012  0.6614343399999996   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
  0.8427007000000017  0.7167246100000000  0.5849105100000003   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
  0.8871710900000025  0.9773938399999977  0.5937151899999975   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
  0.6945114600000011  0.9050767700000009  0.5189691300000021   T   T   T
  0.7771897599999988  0.6213306399999965  0.3595076399999968   F   F   F
  0.6665482599999990  0.5820058500000016  0.6472121199999989   T   T   T
  0.5211553600000016  0.6807512500000001  0.3339470900000023   F   F   F
  0.4131273100000001  0.5911628799999988  0.6785250000000005   T   T   T
  0.5710814299999996  0.3474090099999998  0.6893079399999991   T   T   T
  0.5387883200000019  0.2609480699999978  0.5796970800000025   T   T   T
  0.8267290699999990  0.7759428600000007  0.6979808299999988   T   T   T
  0.1208111799999969  0.3673662599999972  0.6745613699999993   T   T   T
  0.1712654000000029  0.6413676499999994  0.6303180499999996   T   T   T
  0.6125910000000019  0.5478315900000013  0.7591589199999973   T   T   T
  0.3594388699999982  0.6971117800000002  0.7985381599999997   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
  0.6150390199999975  0.2228985200000011  0.5572088099999988   T   T   T
  0.0821938899999992  0.0107374999999976  0.6198078099999975   T   T   T
  0.7658484999999970  0.8543229100000005  0.6939885800000027   T   T   T
  0.1507592900000034  0.2716601199999999  0.6768427700000004   T   T   T
  0.1311786300000009  0.6088802399999977  0.6659105199999971   T   T   T
  0.7052583600000020  0.5407150899999991  0.7727295600000019   T   T   T
  0.4474538199999998  0.6484627099999969  0.8047556799999995   T   T   T
  0.3278485800000013  0.7026874700000008  0.7576061899999971   T   T   T
 
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