iterations/neb0_image08_iter11_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
  0.3040324700000028  0.0892531499999976  0.6093369499999994   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
  0.3411266100000034  0.3496047499999975  0.5371202500000010   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3207251600000021  0.5981810899999971  0.6165233999999984   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
  0.3405004600000012  0.8409269100000003  0.5388703799999988   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8128343400000020  0.1219747100000035  0.6166930600000029   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
  0.8328373100000022  0.3535012899999970  0.5362048100000010   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8165505699999969  0.6570125000000004  0.6524700399999972   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
  0.8359918000000022  0.8563579599999969  0.5451095299999977   T   T   T
  0.9644396799999981  0.3883196499999997  0.6505431000000002   T   T   T
  0.5445974699999994  0.2154589000000016  0.6522669699999994   T   T   T
  0.6023061599999977  0.4981676399999984  0.7198706200000018   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
  0.3060952200000031  0.1881155299999975  0.5527113400000019   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
  0.3548969100000008  0.4423024600000005  0.5959965099999991   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
  0.1928535799999977  0.4062059800000029  0.5142891400000025   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1511292400000031  0.0744630599999994  0.6370116699999997   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960647099999974  0.2311893600000019  0.6577467999999982   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
  0.3752258999999967  0.6871961399999975  0.5610489399999992   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
  0.3727365299999974  0.9432764100000028  0.5919488700000031   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
  0.1818451899999971  0.8671270700000022  0.5197071999999991   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9320495099999988  0.5440067600000020  0.6775157800000002   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
  0.7818993100000000  0.2002386899999991  0.5557912900000019   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
  0.9160133999999971  0.4297016499999984  0.5861454300000020   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
  0.7008508999999989  0.4368509000000032  0.5145941800000031   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6681768099999985  0.0960563000000008  0.6513052999999971   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3940736899999990  0.1478936899999965  0.6630237500000007   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
  0.8266531000000015  0.7190011599999977  0.5863082700000035   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
  0.8856735499999999  0.9783242999999970  0.5933764600000018   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
  0.6883886899999965  0.9082701099999966  0.5193389800000006   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6711057799999978  0.5722852099999969  0.6602445199999991   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.3960289600000024  0.6230996399999995  0.6785747300000011   T   T   T
  0.5650969599999982  0.3364826199999982  0.6990469099999999   T   T   T
  0.5440498099999971  0.2751816299999987  0.5864138199999971   T   T   T
  0.8308888500000009  0.7816924500000013  0.6991971699999979   T   T   T
  0.1211662600000025  0.3651405999999966  0.6722885399999967   T   T   T
  0.1612868599999970  0.6493554500000016  0.6227836500000024   T   T   T
  0.7382524100000012  0.4463571000000002  0.7607069000000024   T   T   T
  0.5080387799999997  0.5863946200000001  0.7703557800000027   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
  0.6141121300000023  0.2316817900000032  0.5623836999999980   T   T   T
  0.0814818200000005  0.0173663300000015  0.6185794700000002   T   T   T
  0.7694448600000001  0.8595751300000032  0.6953043600000015   T   T   T
  0.1465332699999990  0.2678742399999976  0.6732313799999972   T   T   T
  0.1102209000000016  0.6161505399999996  0.6559799699999971   T   T   T
  0.8149021999999988  0.5070582800000025  0.7674282799999972   T   T   T
  0.5366690000000034  0.5704254999999989  0.8072555099999974   T   T   T
  0.3705685700000032  0.6803765599999991  0.7076397100000023   T   T   T
 
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