iterations/neb0_image05_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
  0.1254586399999980  0.1294406100000032  0.3860151200000033   F   F   F
  0.3711277900000027  0.1233391600000004  0.3071508600000001   F   F   F
  0.3035668899999990  0.0885878400000024  0.6090144699999982   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
  0.3431168299999996  0.3475263600000034  0.5366493200000022   T   T   T
  0.1262639500000020  0.6305650700000029  0.3819732500000015   F   F   F
  0.3770206299999970  0.6236350599999980  0.3066613700000005   F   F   F
  0.3231030899999965  0.5934870999999973  0.6157917700000013   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
  0.3432169000000016  0.8398028800000006  0.5389436700000019   T   T   T
  0.6222039299999977  0.1725760200000011  0.3867290499999996   F   F   F
  0.8668747700000026  0.0982889400000033  0.3082004899999973   F   F   F
  0.8135779600000035  0.1212922100000000  0.6166164799999976   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
  0.8358789299999998  0.3530446600000019  0.5360109499999979   T   T   T
  0.6295826300000016  0.6782018500000007  0.3851450499999984   F   F   F
  0.8732722199999969  0.6040057200000035  0.3050745500000005   F   F   F
  0.8167574200000018  0.6564471800000007  0.6513519499999987   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
  0.8387149499999964  0.8555908200000033  0.5448112300000005   T   T   T
  0.9648589399999992  0.3871227599999969  0.6508808500000001   T   T   T
  0.5442010399999972  0.2161105500000033  0.6505140499999982   T   T   T
  0.5935685000000035  0.4987649099999985  0.7056878900000001   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
  0.3025122700000011  0.1871949200000032  0.5524339400000002   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
  0.3568551799999966  0.4382755600000010  0.5949319899999992   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
  0.1957147500000005  0.4065854500000015  0.5137720700000017   T   T   T
  0.2646362300000007  0.0716378700000035  0.3563008400000029   F   F   F
  0.1516505000000024  0.0716652799999977  0.6373789200000033   T   T   T
  0.0113097799999977  0.1460788300000004  0.3361329000000026   F   F   F
  0.8967999700000036  0.2299644400000034  0.6581063100000009   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
  0.3769187199999990  0.6880368699999977  0.5623013800000010   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
  0.3748432399999970  0.9440722900000011  0.5916127400000022   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
  0.1843467300000015  0.8650512500000005  0.5195918800000001   T   T   T
  0.2743800599999986  0.5787506100000002  0.3584283200000016   F   F   F
  0.0260264100000001  0.6436884000000020  0.3269922400000027   F   F   F
  0.9253917400000020  0.5398569299999991  0.6782835599999970   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
  0.7834593799999965  0.2003625799999966  0.5560041399999989   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
  0.9200336099999973  0.4283357799999976  0.5860666100000032   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
  0.7034406599999983  0.4359078600000004  0.5145444200000000   T   T   T
  0.7561068099999986  0.0988887299999988  0.3598368700000023   F   F   F
  0.6678873199999984  0.0975965499999987  0.6509752999999989   T   T   T
  0.5055627899999990  0.1873440099999968  0.3379306100000008   F   F   F
  0.3943729900000008  0.1503705699999998  0.6624579200000014   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
  0.8329302200000015  0.7180490900000009  0.5858786200000026   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
  0.8862583499999985  0.9779760999999993  0.5935409900000010   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
  0.6908571000000023  0.9070148899999992  0.5192536799999985   T   T   T
  0.7735225200000002  0.6234138299999969  0.3597865200000001   F   F   F
  0.6711449599999995  0.5754263899999970  0.6550584700000002   T   T   T
  0.5174881200000030  0.6828344400000006  0.3342259699999985   F   F   F
  0.4055567999999994  0.6048310799999967  0.6773215999999991   T   T   T
  0.5690006600000004  0.3384065999999990  0.6950590399999967   T   T   T
  0.5419752500000001  0.2695302999999996  0.5839288800000020   T   T   T
  0.8291327100000032  0.7792128199999979  0.6986570999999984   T   T   T
  0.1208028900000002  0.3660623399999992  0.6731692999999979   T   T   T
  0.1654978500000013  0.6463323099999982  0.6258728999999974   T   T   T
  0.6859689300000014  0.4882367399999978  0.7599790399999975   T   T   T
  0.4352750899999975  0.6411794300000011  0.7817260300000015   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
  0.6144425199999972  0.2282697400000018  0.5603699300000002   T   T   T
  0.0817553899999979  0.0147747199999984  0.6190590799999995   T   T   T
  0.7680346699999987  0.8575173400000011  0.6947653100000011   T   T   T
  0.1481452399999981  0.2693814300000028  0.6746489300000036   T   T   T
  0.1185047999999966  0.6131889099999981  0.6598717399999998   T   T   T
  0.7733785200000014  0.5191248300000026  0.7697975999999969   T   T   T
  0.5078094599999972  0.5976228700000021  0.8094582100000025   T   T   T
  0.3521443699999978  0.6964248199999972  0.7308112600000030   T   T   T
 
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