./iterations/neb0_image08_iter18_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
  0.3037858400000033  0.0890911299999999  0.6091898800000024   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
  0.3415902200000005  0.3507770499999978  0.5377456499999980   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3197377500000016  0.5986938799999990  0.6160569199999983   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
  0.3407758700000016  0.8400459699999985  0.5389787299999966   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8129998100000009  0.1221064799999994  0.6167181599999978   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
  0.8327721300000022  0.3535524699999968  0.5361860699999994   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8143744200000000  0.6559621899999968  0.6525787699999981   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
  0.8360355499999983  0.8564003600000021  0.5451110599999964   T   T   T
  0.9643412599999976  0.3883366000000024  0.6506317899999985   T   T   T
  0.5442205900000019  0.2181468300000020  0.6527201500000004   T   T   T
  0.6006447500000007  0.5003844100000023  0.7208668900000035   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
  0.3056960799999970  0.1882614499999988  0.5526909800000013   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
  0.3553499000000002  0.4431600300000014  0.5964081300000004   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
  0.1932213799999971  0.4063647300000000  0.5142472499999968   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1510286099999973  0.0741088600000026  0.6370684500000010   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8961074400000015  0.2312888200000032  0.6578388200000020   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
  0.3754932499999981  0.6876415699999967  0.5617183999999966   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
  0.3729484200000002  0.9434423300000034  0.5919293500000009   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
  0.1820451099999971  0.8668893800000035  0.5196758000000017   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9311433000000022  0.5434811499999981  0.6777862900000002   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
  0.7821684000000033  0.2000833999999969  0.5558424500000001   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
  0.9165184699999998  0.4296876000000012  0.5861196999999976   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
  0.7010111999999964  0.4368519499999977  0.5145072299999995   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6677618699999996  0.0965671700000001  0.6513828399999966   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3941843599999970  0.1477230500000033  0.6630043799999967   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
  0.8273394100000004  0.7186603899999966  0.5863173600000025   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
  0.8856713600000035  0.9786167800000030  0.5934424499999977   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
  0.6884963500000012  0.9082109699999990  0.5192591100000001   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6665879899999965  0.5743154000000033  0.6612096400000027   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.3987224299999994  0.6196409399999965  0.6767445099999989   T   T   T
  0.5611267000000026  0.3419415199999989  0.6988476499999976   T   T   T
  0.5435785199999970  0.2746016099999977  0.5860482300000029   T   T   T
  0.8310852800000035  0.7815651299999971  0.6992551700000007   T   T   T
  0.1211430600000014  0.3652698000000001  0.6723508700000025   T   T   T
  0.1613417000000013  0.6488813899999997  0.6231397900000033   T   T   T
  0.7335837099999978  0.4496004399999975  0.7620089400000012   T   T   T
  0.5087532599999989  0.5829258999999993  0.7667458499999995   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
  0.6142674600000007  0.2311615200000006  0.5620903000000013   T   T   T
  0.0814546900000011  0.0170760299999984  0.6186219100000017   T   T   T
  0.7692896100000013  0.8594282199999981  0.6952530300000035   T   T   T
  0.1468045499999988  0.2679567599999970  0.6733658699999978   T   T   T
  0.1106592200000023  0.6161456299999983  0.6563595800000002   T   T   T
  0.8114202900000009  0.5109890499999992  0.7676956800000028   T   T   T
  0.5347262000000015  0.5729061199999990  0.8072231200000033   T   T   T
  0.3694053800000034  0.6781858200000030  0.7086263300000013   T   T   T
 
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