iterations/neb0_image08_iter78_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
  0.3023826499999984  0.0894617900000014  0.6092094400000008   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
  0.3415517999999977  0.3492902999999998  0.5369409199999993   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3140603800000008  0.5969959099999969  0.6130749900000012   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
  0.3391975500000015  0.8422293300000021  0.5385494300000033   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8097093900000019  0.1245973999999990  0.6178202199999987   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
  0.8326631600000027  0.3542478099999968  0.5362086000000019   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8136036300000029  0.6604399100000009  0.6540925400000006   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
  0.8344549099999981  0.8567813100000023  0.5455519400000028   T   T   T
  0.9636964899999967  0.3902763800000031  0.6507858399999975   T   T   T
  0.5396736200000021  0.2238265699999999  0.6532649000000035   T   T   T
  0.6116390299999992  0.4943333300000035  0.7212658799999971   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
  0.3040242599999985  0.1877136299999975  0.5521745699999983   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
  0.3511510700000002  0.4411117499999975  0.5949233999999990   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
  0.1926261199999999  0.4057374200000012  0.5142311899999967   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1495493999999979  0.0735284300000032  0.6368959799999985   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960511599999990  0.2329673200000002  0.6584500199999965   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
  0.3686451399999982  0.6876618200000024  0.5590661100000034   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
  0.3731913800000015  0.9441440200000031  0.5918517300000019   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
  0.1807884099999981  0.8705254300000007  0.5200446699999972   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9273140000000026  0.5442692900000026  0.6782629799999995   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
  0.7798429400000018  0.2022027200000025  0.5567409200000029   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
  0.9158716499999997  0.4306946600000003  0.5862200299999998   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
  0.7007917899999967  0.4376562300000018  0.5145967699999972   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6646757899999969  0.1057036600000032  0.6532561100000009   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3908094399999982  0.1520940099999990  0.6629705300000026   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
  0.8234086499999975  0.7198824199999976  0.5874274700000015   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
  0.8803369600000011  0.9795049700000007  0.5948234000000028   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
  0.6876084499999990  0.9083248700000013  0.5193807699999979   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6671327099999971  0.5834741700000023  0.6657588099999998   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.4020160299999986  0.6151675799999978  0.6713590600000003   T   T   T
  0.5553338699999983  0.3452008200000023  0.6992644700000028   T   T   T
  0.5401921500000029  0.2782801399999997  0.5863735399999968   T   T   T
  0.8369834200000028  0.7859294800000001  0.7000555500000019   T   T   T
  0.1205302099999983  0.3689504299999982  0.6723359799999997   T   T   T
  0.1560804000000005  0.6488884299999995  0.6223483200000004   T   T   T
  0.7406937599999992  0.4530524700000029  0.7639279899999991   T   T   T
  0.5039302100000000  0.5745412899999991  0.7650525199999976   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
  0.6112081599999968  0.2329332799999975  0.5631984700000032   T   T   T
  0.0796699899999993  0.0164155100000016  0.6186825999999996   T   T   T
  0.7731300900000022  0.8624437000000000  0.6974572399999985   T   T   T
  0.1475829600000012  0.2721779499999997  0.6736552799999984   T   T   T
  0.1077818099999988  0.6182201000000020  0.6565747200000018   T   T   T
  0.8140803399999967  0.5200449000000020  0.7666947800000017   T   T   T
  0.5388116499999995  0.5710467500000007  0.8039907900000003   T   T   T
  0.3686217200000002  0.6626317099999994  0.7053093899999965   T   T   T
 
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