./iterations/neb0_image08_iter32_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
  0.3046523699999995  0.0896600199999966  0.6095569900000015   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
  0.3427637200000007  0.3512799499999986  0.5374711999999988   T   T   T
  0.1235135200000030  0.6321274700000004  0.3821824099999986   F   F   F
  0.3742701999999980  0.6251974600000025  0.3068705299999976   F   F   F
  0.3186847300000011  0.5981994699999973  0.6156235699999968   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
  0.3406150200000013  0.8411785699999967  0.5386752499999972   T   T   T
  0.6194534999999988  0.1741384199999985  0.3869382099999967   F   F   F
  0.8641243400000036  0.0998513400000007  0.3084096500000015   F   F   F
  0.8114957000000018  0.1225338200000010  0.6170473399999992   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
  0.8329917699999996  0.3537497000000016  0.5362036900000007   T   T   T
  0.6268322000000026  0.6797642499999981  0.3853542100000027   F   F   F
  0.8705217899999980  0.6055681200000009  0.3052837099999977   F   F   F
  0.8126309800000016  0.6571660399999999  0.6529338599999974   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
  0.8356385499999988  0.8553228099999970  0.5453921499999979   T   T   T
  0.9643385700000024  0.3886274500000013  0.6505962399999987   T   T   T
  0.5427054800000022  0.2206703599999997  0.6525541600000011   T   T   T
  0.6067979700000024  0.4958801900000012  0.7202842900000022   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
  0.3052523799999989  0.1896875300000005  0.5531315400000025   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
  0.3554799300000013  0.4422143399999996  0.5962093400000015   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
  0.1931273200000021  0.4066476499999965  0.5145368399999981   T   T   T
  0.2618858000000017  0.0732002700000010  0.3565100000000001   F   F   F
  0.1512918900000031  0.0738969800000007  0.6369700099999989   T   T   T
  0.0085593499999987  0.1476412299999978  0.3363420599999998   F   F   F
  0.8957607500000009  0.2315069100000002  0.6580748200000031   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
  0.3759513799999965  0.6889232699999965  0.5616178599999984   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
  0.3728508599999998  0.9442347000000026  0.5918151099999989   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
  0.1815709899999973  0.8664354399999965  0.5196644099999972   T   T   T
  0.2716296299999996  0.5803130099999976  0.3586374799999987   F   F   F
  0.0232759800000011  0.6452507999999995  0.3272013999999999   F   F   F
  0.9260220000000032  0.5421469400000021  0.6780184100000000   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
  0.7820289200000019  0.2004592199999990  0.5560056200000005   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
  0.9163871399999977  0.4297282400000029  0.5861825499999966   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
  0.7009312899999998  0.4371557099999990  0.5147165099999995   T   T   T
  0.7533563799999996  0.1004511300000033  0.3600460299999995   F   F   F
  0.6663677700000008  0.1021981499999995  0.6521852500000023   T   T   T
  0.5028123600000001  0.1889064100000013  0.3381397699999980   F   F   F
  0.3948354999999992  0.1486705100000023  0.6630508900000009   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
  0.8258189499999986  0.7179652000000019  0.5869719700000005   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
  0.8848518499999969  0.9786939399999994  0.5937221800000003   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
  0.6884008099999974  0.9082430099999996  0.5195054300000024   T   T   T
  0.7707720900000012  0.6249762300000015  0.3599956799999973   F   F   F
  0.6656494799999990  0.5800875799999972  0.6633442600000024   T   T   T
  0.5147376899999969  0.6843968399999980  0.3344351300000028   F   F   F
  0.4014147299999991  0.6165292499999993  0.6747166899999968   T   T   T
  0.5533324800000017  0.3446509199999994  0.6981948900000035   T   T   T
  0.5430808400000018  0.2750231400000018  0.5860886899999969   T   T   T
  0.8307682900000017  0.7812148000000008  0.6992177500000025   T   T   T
  0.1210373500000017  0.3656637300000014  0.6723952199999985   T   T   T
  0.1592276800000008  0.6494148299999978  0.6233305800000011   T   T   T
  0.7343835400000032  0.4513549600000033  0.7640722299999965   T   T   T
  0.5055778999999987  0.5815133999999986  0.7654345799999973   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
  0.6133492000000018  0.2306910200000019  0.5624203799999989   T   T   T
  0.0813398299999974  0.0168097500000002  0.6186441199999990   T   T   T
  0.7696757699999992  0.8589513100000019  0.6953031600000017   T   T   T
  0.1469602399999985  0.2683661700000002  0.6734251299999983   T   T   T
  0.1095385200000010  0.6166024300000004  0.6568804999999998   T   T   T
  0.8094690200000016  0.5161708199999993  0.7676423400000019   T   T   T
  0.5348887399999995  0.5734385800000013  0.8047829400000026   T   T   T
  0.3694941999999983  0.6715825200000012  0.7067916499999995   T   T   T
 
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