iterations/neb0_image08_iter17_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
  0.3037733299999985  0.0891036700000001  0.6091877300000021   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
  0.3414769999999976  0.3505943899999977  0.5376604200000017   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3200234299999991  0.5987801300000015  0.6162237099999999   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
  0.3407580100000018  0.8400786400000015  0.5389794100000032   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8130450600000003  0.1220983700000033  0.6167052999999996   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
  0.8327736500000000  0.3535491100000030  0.5361879399999978   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8147942200000031  0.6560978099999986  0.6525656000000026   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
  0.8360367900000014  0.8564028699999966  0.5451114899999965   T   T   T
  0.9643290799999988  0.3883490899999984  0.6506445400000018   T   T   T
  0.5442958000000004  0.2177564300000014  0.6526677599999999   T   T   T
  0.6008113700000024  0.5002514000000033  0.7210031400000005   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
  0.3057594200000011  0.1881883000000002  0.5527012499999984   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
  0.3552956600000030  0.4431448599999968  0.5963932000000014   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
  0.1931886200000008  0.4063451399999991  0.5142491499999977   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1510335600000019  0.0741490300000009  0.6370558099999997   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960997300000031  0.2312545899999989  0.6578146499999988   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
  0.3754260400000007  0.6875153499999982  0.5616757199999967   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
  0.3729229899999993  0.9434447499999976  0.5919438099999965   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
  0.1819903999999966  0.8669368799999972  0.5196742299999997   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9313490299999998  0.5435639100000031  0.6777327799999995   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
  0.7821248099999991  0.2000759700000003  0.5558402899999990   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
  0.9164552100000023  0.4296953400000021  0.5861160700000028   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
  0.7009779199999997  0.4368498600000024  0.5145134400000018   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6678430600000027  0.0963895699999995  0.6513615599999980   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3941446999999982  0.1477204199999989  0.6630084499999995   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
  0.8272658300000018  0.7187358700000033  0.5862935199999981   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
  0.8856673499999985  0.9785946399999972  0.5934336999999985   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
  0.6884688800000021  0.9082203099999973  0.5192634400000031   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6670553399999974  0.5738970399999985  0.6610624799999982   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.3988724599999998  0.6184890099999976  0.6760529700000006   T   T   T
  0.5617838699999993  0.3412965300000010  0.6988972700000033   T   T   T
  0.5436334199999990  0.2746972500000027  0.5860948999999991   T   T   T
  0.8310814800000017  0.7815860799999967  0.6992519499999972   T   T   T
  0.1211459800000014  0.3652799199999990  0.6723360200000030   T   T   T
  0.1614311499999985  0.6488918599999991  0.6230943099999990   T   T   T
  0.7337701000000010  0.4490333199999981  0.7616989799999985   T   T   T
  0.5083813899999967  0.5834713599999972  0.7663329399999981   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
  0.6142743400000015  0.2312312800000029  0.5621185500000010   T   T   T
  0.0814768999999984  0.0171340500000028  0.6186201599999990   T   T   T
  0.7692881400000005  0.8594824099999983  0.6952609699999996   T   T   T
  0.1467697300000026  0.2679141200000004  0.6733480500000013   T   T   T
  0.1106069000000005  0.6161504900000025  0.6562965000000034   T   T   T
  0.8121299399999984  0.5105446800000024  0.7676755700000015   T   T   T
  0.5355793100000028  0.5722363100000010  0.8079903400000035   T   T   T
  0.3688620000000000  0.6801000700000017  0.7092926099999985   T   T   T
 
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