./iterations/neb0_image05_iter63_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
  0.1254586399999980  0.1294406100000032  0.3860151200000033   F   F   F
  0.3711277900000027  0.1233391600000004  0.3071508600000001   F   F   F
  0.3013821899999982  0.0873186199999978  0.6086160899999982   T   T   T
  0.0978378499999977  0.3968840799999995  0.1496756100000027   F   F   F
  0.0908336899999966  0.3813381800000002  0.4625665100000020   F   F   F
  0.3488771099999965  0.3702260800000019  0.2286288000000027   F   F   F
  0.3426812599999991  0.3460797199999988  0.5361985199999992   T   T   T
  0.1262639500000020  0.6305650700000029  0.3819732500000015   F   F   F
  0.3770206299999970  0.6236350599999980  0.3066613700000005   F   F   F
  0.3323601399999987  0.5916958700000023  0.6168691199999969   T   T   T
  0.1109245099999967  0.8953987599999991  0.1465826199999967   F   F   F
  0.0856958000000034  0.8753702899999993  0.4635632500000000   F   F   F
  0.3570285400000017  0.8711298099999993  0.2284941400000022   F   F   F
  0.3440673799999985  0.8384011699999974  0.5388477999999992   T   T   T
  0.6222039299999977  0.1725760200000011  0.3867290499999996   F   F   F
  0.8668747700000026  0.0982889400000033  0.3082004899999973   F   F   F
  0.8107737200000003  0.1243942099999984  0.6175790500000033   T   T   T
  0.5940744299999992  0.3683863899999977  0.1485376700000032   F   F   F
  0.5974274900000012  0.4240658100000019  0.4609848699999972   F   F   F
  0.8443101399999975  0.3469343699999996  0.2294865000000001   F   F   F
  0.8358067300000016  0.3541574400000016  0.5359536899999995   T   T   T
  0.6295826300000016  0.6782018500000007  0.3851450499999984   F   F   F
  0.8732722199999969  0.6040057200000035  0.3050745500000005   F   F   F
  0.8156637800000013  0.6579774300000025  0.6522689499999998   T   T   T
  0.6013810199999980  0.8689120000000017  0.1476000600000020   F   F   F
  0.5874476799999968  0.9242580200000035  0.4632253400000010   F   F   F
  0.8544077299999984  0.8496859899999976  0.2264348900000002   F   F   F
  0.8382146000000006  0.8558740000000000  0.5452669700000001   T   T   T
  0.9642861600000003  0.3883303499999968  0.6509810100000024   T   T   T
  0.5383560599999981  0.2233066499999978  0.6506430399999985   T   T   T
  0.5673047800000006  0.5166687800000034  0.7066210899999987   T   T   T
  0.0688804700000034  0.0165974199999965  0.1033527499999991   F   F   F
  0.0787950400000028  0.0301161399999970  0.4384890500000012   F   F   F
  0.2987666599999983  0.2421373800000026  0.2684150899999977   F   F   F
  0.3004936199999975  0.1847634399999976  0.5513044500000035   T   T   T
  0.1517103600000027  0.2700566600000016  0.1076019400000021   F   F   F
  0.1534801000000030  0.2779502699999981  0.4149900900000034   F   F   F
  0.4154666800000015  0.4909567899999985  0.2678925100000029   F   F   F
  0.3544639099999998  0.4362536699999993  0.5946508600000016   T   T   T
  0.4624784299999973  0.3103035000000034  0.1840924199999989   F   F   F
  0.4457376499999981  0.3763141100000027  0.4806617099999997   F   F   F
  0.2200116899999998  0.4368874299999987  0.1944074199999974   F   F   F
  0.1956716299999997  0.4063186400000021  0.5136734700000005   T   T   T
  0.2646362300000007  0.0716378700000035  0.3563008400000029   F   F   F
  0.1497170600000004  0.0712727000000015  0.6370820200000011   T   T   T
  0.0113097799999977  0.1460788300000004  0.3361329000000026   F   F   F
  0.8967856800000007  0.2319286600000012  0.6587749899999977   T   T   T
  0.0480848500000022  0.5217159999999978  0.1097159600000026   F   F   F
  0.0681962600000006  0.5284719499999966  0.4312735500000002   F   F   F
  0.3056195400000021  0.7435365700000034  0.2682386299999990   F   F   F
  0.3819442100000003  0.6874102100000030  0.5633462199999997   T   T   T
  0.1630985299999992  0.7639979699999984  0.1066604800000022   F   F   F
  0.1413415199999974  0.7796702600000032  0.4121316199999967   F   F   F
  0.4190510700000019  0.9936281000000022  0.2683061899999970   F   F   F
  0.3748002399999990  0.9442271400000024  0.5914674300000016   T   T   T
  0.4738961500000016  0.8107833799999966  0.1856000200000025   F   F   F
  0.4371373600000013  0.8716218100000006  0.4836444199999974   F   F   F
  0.2308173500000024  0.9363631399999974  0.1921780799999979   F   F   F
  0.1851334500000021  0.8617947500000014  0.5196504700000020   T   T   T
  0.2743800599999986  0.5787506100000002  0.3584283200000016   F   F   F
  0.0260264100000001  0.6436884000000020  0.3269922400000027   F   F   F
  0.9224469199999987  0.5389330300000026  0.6796147499999989   T   T   T
  0.5552696199999971  0.9891961000000009  0.1045214399999992   F   F   F
  0.5728469399999980  0.0816433199999977  0.4415079799999972   F   F   F
  0.8147349899999980  0.1962992699999973  0.2564969800000014   F   F   F
  0.7830987299999990  0.2017634799999968  0.5565616900000023   T   T   T
  0.6477965899999987  0.2382090300000002  0.1082845600000013   F   F   F
  0.6561137899999991  0.3260761000000016  0.4102192400000035   F   F   F
  0.8763818099999980  0.4462732499999973  0.2835662600000006   F   F   F
  0.9212544499999993  0.4294475900000023  0.5859829600000026   T   T   T
  0.9724209199999976  0.3307068800000010  0.1859030399999995   F   F   F
  0.9437603399999972  0.3278803099999976  0.4871334099999984   F   F   F
  0.7135698800000014  0.4066965499999995  0.1945571400000006   F   F   F
  0.7039185499999974  0.4371276999999978  0.5144504499999982   T   T   T
  0.7561068099999986  0.0988887299999988  0.3598368700000023   F   F   F
  0.6649272399999973  0.1071627800000030  0.6525983699999998   T   T   T
  0.5055627899999990  0.1873440099999968  0.3379306100000008   F   F   F
  0.3912074699999977  0.1496841900000021  0.6617482699999968   T   T   T
  0.5515020300000018  0.4903891499999986  0.1057287300000027   F   F   F
  0.5851708499999972  0.5804137599999990  0.4380778800000016   F   F   F
  0.8234597000000008  0.6970779099999973  0.2514380300000028   F   F   F
  0.8347530200000008  0.7188217200000011  0.5869132899999983   T   T   T
  0.6519124800000000  0.7372567099999969  0.1075207100000029   F   F   F
  0.6457455099999976  0.8321116899999979  0.4109404200000029   F   F   F
  0.8868701900000033  0.9460009900000017  0.2815826900000005   F   F   F
  0.8813620999999969  0.9796385000000001  0.5948656599999964   T   T   T
  0.9824086699999981  0.8360090099999979  0.1828756600000006   F   F   F
  0.9339563300000009  0.8299884400000010  0.4860171899999983   F   F   F
  0.7240767799999972  0.9109258399999973  0.1916428199999984   F   F   F
  0.6910811099999989  0.9070025400000006  0.5193909899999980   T   T   T
  0.7735225200000002  0.6234138299999969  0.3597865200000001   F   F   F
  0.6680776700000024  0.5826113899999967  0.6560638400000016   T   T   T
  0.5174881200000030  0.6828344400000006  0.3342259699999985   F   F   F
  0.4276472000000027  0.5970574999999982  0.6740877200000028   T   T   T
  0.5517855499999982  0.3497941800000035  0.6948329100000024   T   T   T
  0.5396632599999975  0.2696298299999995  0.5827002600000029   T   T   T
  0.8329239600000022  0.7815876700000004  0.6992560300000008   T   T   T
  0.1211531100000016  0.3673788600000023  0.6731693500000020   T   T   T
  0.1775601100000017  0.6504470300000023  0.6305472000000023   T   T   T
  0.6749342199999973  0.5153991600000012  0.7629042900000016   T   T   T
  0.4386503799999986  0.5829324099999980  0.7703250499999967   T   T   T
  0.1004587400000005  0.1134540700000031  0.1074612299999984   F   F   F
  0.1970317800000032  0.2992095500000005  0.0727406399999992   F   F   F
  0.0932469400000002  0.6134932300000031  0.1097561899999988   F   F   F
  0.2073457300000001  0.7895196999999996  0.0710592900000009   F   F   F
  0.5896634699999979  0.0853248499999992  0.1082385400000021   F   F   F
  0.6864069299999969  0.2654578599999979  0.0717815100000010   F   F   F
  0.5899337800000026  0.5850271500000019  0.1085105499999983   F   F   F
  0.6918956399999985  0.7631919199999970  0.0711048200000022   F   F   F
  0.6136114399999997  0.2263372700000019  0.5602674399999970   T   T   T
  0.0795057699999973  0.0145524699999982  0.6188982600000017   T   T   T
  0.7713878799999989  0.8594128200000029  0.6950341599999987   T   T   T
  0.1484509399999965  0.2704845700000007  0.6740778500000033   T   T   T
  0.1260887999999980  0.6106796899999978  0.6623331500000020   T   T   T
  0.7732039999999998  0.5291786100000024  0.7576755700000035   T   T   T
  0.5000014000000021  0.6297880500000019  0.7979681899999989   T   T   T
  0.3900266899999991  0.6519775100000018  0.7461440599999989   T   T   T
 
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