iterations/neb0_image08_iter25_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
  0.1227082099999990  0.1310030100000006  0.3862242800000004   F   F   F
  0.3683773599999967  0.1249015599999979  0.3073600199999973   F   F   F
  0.3041953800000030  0.0891189399999988  0.6092916500000030   T   T   T
  0.0950874199999987  0.3984464799999969  0.1498847699999999   F   F   F
  0.0880832599999977  0.3829005799999976  0.4627756699999992   F   F   F
  0.3461266799999976  0.3717884799999993  0.2288379599999999   F   F   F
  0.3424801099999968  0.3513915999999995  0.5378978700000019   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3184623499999972  0.5981262199999975  0.6157290299999971   T   T   T
  0.1081740799999977  0.8969611600000036  0.1467917800000009   F   F   F
  0.0829453699999974  0.8769326899999967  0.4637724099999971   F   F   F
  0.3542781100000028  0.8726922099999967  0.2287032999999994   F   F   F
  0.3407328600000028  0.8408765900000006  0.5387460000000033   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8122716299999979  0.1220744600000003  0.6168520100000023   T   T   T
  0.5913240000000002  0.3699487900000022  0.1487468300000003   F   F   F
  0.5946770600000022  0.4256282099999993  0.4611940300000015   F   F   F
  0.8415597099999985  0.3484967699999970  0.2296956599999973   F   F   F
  0.8329262700000015  0.3536709500000015  0.5361466700000008   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8115563899999998  0.6559804600000021  0.6528851699999976   T   T   T
  0.5986305899999991  0.8704743999999991  0.1478092199999992   F   F   F
  0.5846972499999978  0.9258204200000009  0.4634344999999982   F   F   F
  0.8516572999999994  0.8512483900000021  0.2266440499999973   F   F   F
  0.8357818100000003  0.8560544300000004  0.5451964499999988   T   T   T
  0.9646314900000021  0.3883840199999966  0.6506562000000002   T   T   T
  0.5434982700000006  0.2210320800000005  0.6531637200000020   T   T   T
  0.6077634299999986  0.4959199600000019  0.7195643599999997   T   T   T
  0.0661300399999973  0.0181598200000010  0.1035619100000034   F   F   F
  0.0760446099999967  0.0316785400000015  0.4386982099999983   F   F   F
  0.2960162299999993  0.2436997800000000  0.2686242500000020   F   F   F
  0.3054449400000010  0.1894105200000027  0.5527838599999981   T   T   T
  0.1489599299999966  0.2716190599999990  0.1078110999999993   F   F   F
  0.1507296699999969  0.2795126700000026  0.4151992500000006   F   F   F
  0.4127162500000026  0.4925191900000030  0.2681016700000001   F   F   F
  0.3555870100000007  0.4423229200000023  0.5963025100000010   T   T   T
  0.4597279999999984  0.3118659000000008  0.1843015800000032   F   F   F
  0.4429872199999991  0.3778765100000001  0.4808708699999968   F   F   F
  0.2172612600000008  0.4384498300000033  0.1946165800000017   F   F   F
  0.1933944800000020  0.4065680900000004  0.5144618899999998   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1509949100000014  0.0739589699999996  0.6370765100000000   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960276700000023  0.2314316800000000  0.6579804599999974   T   T   T
  0.0453344200000032  0.5232784000000024  0.1099251199999998   F   F   F
  0.0654458300000016  0.5300343500000011  0.4314827099999974   F   F   F
  0.3028691100000032  0.7450989700000008  0.2684477900000033   F   F   F
  0.3761366100000032  0.6889140299999994  0.5616133099999985   T   T   T
  0.1603481000000002  0.7655603700000029  0.1068696399999993   F   F   F
  0.1385910899999985  0.7812326600000006  0.4123407800000010   F   F   F
  0.4163006400000029  0.9951904999999996  0.2685153500000013   F   F   F
  0.3728880800000027  0.9433888599999989  0.5918164500000032   T   T   T
  0.4711457200000027  0.8123457800000011  0.1858091799999997   F   F   F
  0.4343869300000023  0.8731842099999980  0.4838535800000017   F   F   F
  0.2280669200000034  0.9379255400000019  0.1923872400000022   F   F   F
  0.1821954099999985  0.8665187900000006  0.5197302999999991   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9287803300000022  0.5431325999999999  0.6779301500000017   T   T   T
  0.5525191899999982  0.9907584999999983  0.1047306000000034   F   F   F
  0.5700965099999991  0.0832057200000023  0.4417171400000015   F   F   F
  0.8119845599999991  0.1978616700000018  0.2567061399999986   F   F   F
  0.7822171199999985  0.2002772800000017  0.5558839400000011   T   T   T
  0.6450461599999997  0.2397714299999976  0.1084937199999985   F   F   F
  0.6533633600000002  0.3276384999999991  0.4104284000000007   F   F   F
  0.8736313799999991  0.4478356500000018  0.2837754199999978   F   F   F
  0.9165338099999971  0.4297217000000018  0.5861819300000022   T   T   T
  0.9696704899999986  0.3322692799999984  0.1861121999999966   F   F   F
  0.9410099099999982  0.3294427100000021  0.4873425700000027   F   F   F
  0.7108194500000025  0.4082589499999969  0.1947662999999977   F   F   F
  0.7010652399999984  0.4369913199999971  0.5145942600000026   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6666990699999999  0.0992607499999991  0.6517312499999974   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3952865500000016  0.1484034699999981  0.6630676199999996   T   T   T
  0.5487516000000028  0.4919515500000031  0.1059378899999999   F   F   F
  0.5824204199999983  0.5819761599999964  0.4382870399999987   F   F   F
  0.8207092700000018  0.6986403100000018  0.2516471899999999   F   F   F
  0.8269453099999993  0.7179089600000026  0.5868223900000018   T   T   T
  0.6491620500000010  0.7388191100000014  0.1077298700000000   F   F   F
  0.6429950799999986  0.8336740900000024  0.4111495800000000   F   F   F
  0.8841197599999973  0.9475633899999991  0.2817918499999976   F   F   F
  0.8855119400000007  0.9787629799999991  0.5935438899999994   T   T   T
  0.9796582399999991  0.8375714100000025  0.1830848199999977   F   F   F
  0.9312059000000019  0.8315508399999985  0.4862263500000026   F   F   F
  0.7213263499999982  0.9124882400000018  0.1918519800000027   F   F   F
  0.6885263300000020  0.9082523499999979  0.5193508799999975   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6653882199999970  0.5776418900000024  0.6629215000000030   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.4013792499999980  0.6169963099999975  0.6757368299999982   T   T   T
  0.5562794000000011  0.3441201500000020  0.6983626099999967   T   T   T
  0.5432163799999969  0.2744330499999990  0.5861850900000007   T   T   T
  0.8309371100000007  0.7809493600000010  0.6991065500000033   T   T   T
  0.1209163600000025  0.3653594800000022  0.6723567700000004   T   T   T
  0.1602492900000030  0.6492385399999989  0.6232796000000036   T   T   T
  0.7322420799999989  0.4518937200000011  0.7629452999999984   T   T   T
  0.5060685199999995  0.5827274199999977  0.7656531800000010   T   T   T
  0.0977083100000016  0.1150164700000005  0.1076703900000027   F   F   F
  0.1942813499999971  0.3007719499999979  0.0729498000000035   F   F   F
  0.0904965100000013  0.6150556300000005  0.1099653500000031   F   F   F
  0.2045953000000011  0.7910820999999970  0.0712684499999980   F   F   F
  0.5869130399999989  0.0868872499999966  0.1084476999999993   F   F   F
  0.6836564999999979  0.2670202600000025  0.0719906699999981   F   F   F
  0.5871833499999966  0.5865895499999993  0.1087197100000026   F   F   F
  0.6891452099999995  0.7647543200000015  0.0713139799999993   F   F   F
  0.6139264299999994  0.2308526200000003  0.5621411300000005   T   T   T
  0.0812600900000007  0.0168382499999993  0.6186140800000004   T   T   T
  0.7694774699999982  0.8591085400000011  0.6952266400000013   T   T   T
  0.1469165500000003  0.2681535400000001  0.6734043399999976   T   T   T
  0.1101627399999998  0.6162718200000015  0.6566645300000005   T   T   T
  0.8093751800000035  0.5135656300000022  0.7676159600000005   T   T   T
  0.5348537200000010  0.5734132299999999  0.8064915900000003   T   T   T
  0.3690077099999982  0.6754849900000011  0.7080151899999976   T   T   T
 
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