iterations/neb0_image08_iter84_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
  0.3023264999999995  0.0892163099999976  0.6091333999999975   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
  0.3415448699999999  0.3488255999999978  0.5370208200000022   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3138100199999982  0.5967297400000007  0.6133209099999988   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
  0.3392909800000012  0.8425021500000014  0.5384944400000009   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8096183199999984  0.1249141300000005  0.6178996699999999   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
  0.8326897000000031  0.3543817799999971  0.5361756000000000   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8137745599999988  0.6610061900000019  0.6540664899999982   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
  0.8348365100000024  0.8568115899999995  0.5455724199999992   T   T   T
  0.9635227300000011  0.3905359899999965  0.6507926100000034   T   T   T
  0.5395153699999966  0.2235462299999966  0.6531625200000022   T   T   T
  0.6119820199999992  0.4945999799999967  0.7213165100000012   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
  0.3043727299999972  0.1871840800000015  0.5521177399999999   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
  0.3507830799999994  0.4407862199999997  0.5950423299999983   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
  0.1927744899999979  0.4055899900000028  0.5142148500000019   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1493743099999989  0.0734709299999992  0.6367359999999991   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8956927699999966  0.2335022099999975  0.6584967000000006   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
  0.3685320900000022  0.6871404199999986  0.5588148399999966   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
  0.3730561699999981  0.9438702300000017  0.5920544599999999   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
  0.1806876400000021  0.8710914400000007  0.5199401200000011   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9275279399999974  0.5447101500000002  0.6781527199999999   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
  0.7796292000000022  0.2024370600000012  0.5568052100000003   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
  0.9157871700000015  0.4310406399999991  0.5861818400000018   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
  0.7007918400000008  0.4377175999999992  0.5145990999999981   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6643595899999966  0.1054913999999982  0.6530898000000036   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3905274700000021  0.1522266099999996  0.6628297999999972   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
  0.8238442700000022  0.7200771300000000  0.5875149800000017   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
  0.8806840299999976  0.9801428700000017  0.5947089699999992   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
  0.6878340499999993  0.9085244199999991  0.5194432199999994   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6675705299999990  0.5840341899999970  0.6658567500000032   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.4017312799999999  0.6164080799999994  0.6716061999999994   T   T   T
  0.5560694899999987  0.3450407899999988  0.6991726299999996   T   T   T
  0.5399620199999973  0.2782921000000016  0.5864418800000024   T   T   T
  0.8374899900000017  0.7860421199999976  0.6999931000000004   T   T   T
  0.1205612799999969  0.3691780799999975  0.6724072600000000   T   T   T
  0.1558696999999967  0.6489168100000029  0.6222468400000025   T   T   T
  0.7417110800000017  0.4530609299999995  0.7641443799999976   T   T   T
  0.5040439599999971  0.5739610299999995  0.7652019900000013   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
  0.6112954600000009  0.2337644500000025  0.5632003799999978   T   T   T
  0.0792621499999981  0.0163268399999978  0.6186579700000010   T   T   T
  0.7742245600000004  0.8629169800000014  0.6978560299999970   T   T   T
  0.1481378499999977  0.2725597700000009  0.6737406499999992   T   T   T
  0.1074249799999976  0.6184058600000029  0.6564544000000012   T   T   T
  0.8155496199999988  0.5201602899999997  0.7664046800000008   T   T   T
  0.5386482899999976  0.5709562700000035  0.8040362899999991   T   T   T
  0.3680672999999999  0.6619541600000005  0.7052859499999968   T   T   T
 
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