iterations/neb0_image08_iter15_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
  0.3038072499999984  0.0891366700000020  0.6092044000000030   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
  0.3413431700000018  0.3503702000000004  0.5375340900000012   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3201989499999982  0.5986592200000018  0.6162293499999976   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
  0.3406932099999977  0.8402025299999991  0.5389576000000034   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8130407800000015  0.1220626799999991  0.6166861299999979   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
  0.8327716000000009  0.3535495900000001  0.5361888199999996   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8152527599999999  0.6563043499999992  0.6525578800000034   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
  0.8359994699999973  0.8563895699999975  0.5451140300000006   T   T   T
  0.9643322699999999  0.3883613300000022  0.6506517199999990   T   T   T
  0.5444208400000008  0.2172564099999974  0.6526211199999992   T   T   T
  0.6027824299999978  0.4986858199999986  0.7207056900000026   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
  0.3058846400000022  0.1881458900000013  0.5527188499999980   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
  0.3551623399999997  0.4429242200000019  0.5962930000000028   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
  0.1930860399999972  0.4062979500000026  0.5142684400000022   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1510418399999978  0.0742459399999973  0.6370346699999985   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960920000000030  0.2312069600000015  0.6577780900000008   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
  0.3753245600000028  0.6874552100000031  0.5615314300000023   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
  0.3728520800000013  0.9434106799999995  0.5919607100000022   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
  0.1819099300000033  0.8670161100000016  0.5196831599999996   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9316383099999967  0.5437541399999972  0.6776337800000007   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
  0.7820353299999994  0.2000937399999998  0.5558334600000023   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
  0.9163110200000020  0.4297186699999997  0.5861303000000007   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
  0.7009120000000024  0.4368540600000017  0.5145355499999980   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6679279000000022  0.0962283300000024  0.6513440499999987   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3941731600000011  0.1477666600000020  0.6630261500000003   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
  0.8270616599999983  0.7188237299999969  0.5863047200000011   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
  0.8856572799999967  0.9785486600000013  0.5934212100000025   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
  0.6884140499999987  0.9082495199999983  0.5192832400000000   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6681436599999984  0.5732547699999984  0.6609825800000024   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.3990084799999991  0.6174784099999968  0.6756118999999998   T   T   T
  0.5628814299999974  0.3400898299999966  0.6990028700000011   T   T   T
  0.5437451499999995  0.2748682900000006  0.5862196699999984   T   T   T
  0.8310600300000033  0.7816141799999983  0.6992398300000033   T   T   T
  0.1211283700000010  0.3652655599999974  0.6723072400000021   T   T   T
  0.1614866800000030  0.6489983399999986  0.6230139399999999   T   T   T
  0.7346711400000032  0.4483689600000034  0.7611110200000013   T   T   T
  0.5077932000000018  0.5846401800000010  0.7668700600000022   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
  0.6142402099999984  0.2313850000000031  0.5622003100000015   T   T   T
  0.0814864700000015  0.0172365000000028  0.6186081000000030   T   T   T
  0.7693273900000008  0.8595571500000005  0.6952735899999993   T   T   T
  0.1466874099999984  0.2678666600000028  0.6733036999999982   T   T   T
  0.1104258499999986  0.6161795900000016  0.6561620399999981   T   T   T
  0.8130687800000018  0.5092490999999981  0.7675522899999976   T   T   T
  0.5366502400000002  0.5712118900000007  0.8084633300000021   T   T   T
  0.3683929899999967  0.6826318099999966  0.7098504699999992   T   T   T
 
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