./iterations/neb0_image08_iter5_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
  0.3041672700000007  0.0892579699999985  0.6093112800000000   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
  0.3409766999999988  0.3498084900000009  0.5370817100000025   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3192848300000009  0.5970455499999971  0.6148482899999976   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
  0.3403555499999982  0.8407818499999991  0.5388097200000033   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8127495000000025  0.1216811099999973  0.6165419399999976   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
  0.8328057599999994  0.3536055399999967  0.5361502000000016   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8165949099999992  0.6574632100000031  0.6525075999999999   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
  0.8357087899999982  0.8562445199999971  0.5450987999999981   T   T   T
  0.9646543200000011  0.3884234200000023  0.6505773499999989   T   T   T
  0.5448370299999965  0.2154720200000000  0.6525361500000031   T   T   T
  0.6155679399999983  0.4882848800000019  0.7171163499999977   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
  0.3065032000000016  0.1881932300000031  0.5528000999999989   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
  0.3543945500000021  0.4407406600000030  0.5954003900000018   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
  0.1924270000000021  0.4060129599999982  0.5144029599999982   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1510468800000027  0.0747893200000007  0.6369493999999989   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8960696099999979  0.2310601900000009  0.6576666500000030   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
  0.3748847900000030  0.6879726000000019  0.5605249600000022   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
  0.3724311000000000  0.9431840600000001  0.5920205700000025   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
  0.1815416399999989  0.8673894499999975  0.5197569799999968   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9327666599999986  0.5446924000000024  0.6771893599999999   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
  0.7815743900000029  0.2002607399999974  0.5558139600000018   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
  0.9155185099999983  0.4298209199999974  0.5862831800000023   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
  0.7006120799999991  0.4368837700000014  0.5146977100000001   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6681141600000018  0.0960138200000031  0.6513468400000022   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3948353299999994  0.1483028199999978  0.6631790200000012   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
  0.8258589100000009  0.7190344899999985  0.5865659099999974   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
  0.8855970199999987  0.9783804400000022  0.5933946099999972   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
  0.6881649700000025  0.9084272999999996  0.5194330699999981   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6742095299999988  0.5704687100000001  0.6611547799999968   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.3994427000000016  0.6176514100000006  0.6773990499999982   T   T   T
  0.5677556600000031  0.3332304099999988  0.6994145800000027   T   T   T
  0.5442933900000000  0.2756805300000025  0.5869901599999992   T   T   T
  0.8309047400000011  0.7816337799999999  0.6991467599999979   T   T   T
  0.1208571299999974  0.3650958300000013  0.6721667600000032   T   T   T
  0.1613976499999978  0.6498073500000032  0.6226479899999973   T   T   T
  0.7408202599999996  0.4447167599999986  0.7585275799999991   T   T   T
  0.5022436699999986  0.5929579200000035  0.7707060700000028   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
  0.6139669200000029  0.2321858600000013  0.5626735999999966   T   T   T
  0.0814356699999976  0.0177045599999985  0.6185201199999995   T   T   T
  0.7696361100000004  0.8598309200000003  0.6953234899999998   T   T   T
  0.1462358200000011  0.2677402099999995  0.6730554299999980   T   T   T
  0.1093563100000026  0.6163741900000019  0.6554545099999984   T   T   T
  0.8180735400000003  0.5026202100000035  0.7669187999999991   T   T   T
  0.5428577300000015  0.5650792400000029  0.8104910200000006   T   T   T
  0.3682726500000015  0.6906409400000015  0.7100371599999988   T   T   T
 
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