./iterations/neb0_image08_iter69_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
  0.3026074599999973  0.0897965099999993  0.6093185300000030   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
  0.3412864100000021  0.3494689400000013  0.5368733700000021   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3148624900000030  0.5973144100000027  0.6134822499999970   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
  0.3396366400000019  0.8422484999999966  0.5385427100000015   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8103485099999972  0.1242112600000027  0.6176850000000016   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
  0.8327476600000026  0.3541773399999997  0.5362444599999989   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8133036300000001  0.6596147200000004  0.6540796900000032   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
  0.8348564400000029  0.8566014100000032  0.5455122799999970   T   T   T
  0.9636074000000008  0.3895767500000034  0.6507842400000001   T   T   T
  0.5401586799999976  0.2235350199999999  0.6531839200000036   T   T   T
  0.6100216700000018  0.4952982800000001  0.7210705999999973   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
  0.3039239900000013  0.1879402699999986  0.5524314299999986   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
  0.3519888699999996  0.4415733700000004  0.5948603100000014   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
  0.1925238600000014  0.4060172300000033  0.5142194000000018   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1499723200000034  0.0736673800000034  0.6369845400000003   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8963438800000034  0.2323183499999999  0.6582892200000003   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
  0.3698551700000010  0.6880200700000003  0.5594571800000026   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
  0.3732001600000032  0.9445833300000004  0.5916568100000035   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
  0.1807348600000012  0.8693843599999980  0.5200152500000002   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9275518899999966  0.5434933000000015  0.6782844299999979   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
  0.7802486799999997  0.2015728800000005  0.5565622200000035   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
  0.9161928799999970  0.4302901399999968  0.5862552199999982   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
  0.7008408000000017  0.4375436899999983  0.5146230300000028   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6654017299999992  0.1050170099999974  0.6531966900000015   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3914590500000017  0.1512593400000029  0.6630675600000018   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
  0.8232646499999987  0.7194900499999974  0.5873964099999966   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
  0.8803033100000022  0.9789838900000021  0.5947290100000018   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
  0.6874765199999970  0.9082520700000032  0.5193832400000034   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6669405900000029  0.5818979700000000  0.6651968600000018   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.4016369900000001  0.6152311800000021  0.6719194000000002   T   T   T
  0.5553719799999968  0.3448246000000026  0.6992829900000004   T   T   T
  0.5408422499999972  0.2779367799999974  0.5862319399999976   T   T   T
  0.8358653700000005  0.7853269900000015  0.6998979399999996   T   T   T
  0.1205287800000008  0.3683456300000003  0.6722641499999966   T   T   T
  0.1565465099999983  0.6489944899999998  0.6225042800000011   T   T   T
  0.7389054000000002  0.4526171400000010  0.7635702299999991   T   T   T
  0.5043166999999968  0.5759308800000014  0.7652067100000011   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
  0.6115616299999971  0.2319504000000023  0.5630490200000011   T   T   T
  0.0803400200000013  0.0166128500000013  0.6186949000000013   T   T   T
  0.7718234600000002  0.8615309500000023  0.6968516600000001   T   T   T
  0.1469904200000016  0.2714160299999975  0.6735468099999977   T   T   T
  0.1084006500000001  0.6178279499999988  0.6567086599999996   T   T   T
  0.8125182499999966  0.5190692099999978  0.7670394800000011   T   T   T
  0.5383598299999974  0.5714782700000001  0.8042098100000032   T   T   T
  0.3693836799999985  0.6643599000000009  0.7054877599999969   T   T   T
 
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