./iterations/neb0_image09_iter31_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
  0.1217913999999993  0.1315237999999965  0.3862939999999995   F   F   F
  0.3674605499999970  0.1254223500000009  0.3074297400000034   F   F   F
  0.3045606599999999  0.0897304900000009  0.6095670999999996   T   T   T
  0.0941706099999990  0.3989672700000000  0.1499544899999989   F   F   F
  0.0871664499999980  0.3834213700000006  0.4628453899999982   F   F   F
  0.3452098699999979  0.3723092700000024  0.2289076799999989   F   F   F
  0.3411451799999980  0.3516158199999992  0.5374804699999984   T   T   T
  0.1225967100000034  0.6326482600000034  0.3822521299999977   F   F   F
  0.3733533899999983  0.6257182499999985  0.3069402499999967   F   F   F
  0.3180356499999988  0.5989685600000030  0.6148323000000033   T   T   T
  0.1072572699999981  0.8974819499999995  0.1468615000000000   F   F   F
  0.0820285599999977  0.8774534799999998  0.4638421300000033   F   F   F
  0.3533613000000031  0.8732129999999998  0.2287730199999984   F   F   F
  0.3394020200000014  0.8415127900000030  0.5386343999999994   T   T   T
  0.6185366899999991  0.1746592100000015  0.3870079300000029   F   F   F
  0.8632075299999968  0.1003721299999967  0.3084793700000006   F   F   F
  0.8119453699999966  0.1224015700000010  0.6168191499999978   T   T   T
  0.5904071900000005  0.3704695799999982  0.1488165499999994   F   F   F
  0.5937602500000025  0.4261490000000023  0.4612637500000005   F   F   F
  0.8406428999999989  0.3490175600000001  0.2297653800000035   F   F   F
  0.8316819599999974  0.3538716899999983  0.5362483400000002   T   T   T
  0.6259153900000030  0.6802850400000011  0.3854239300000017   F   F   F
  0.8696049799999983  0.6060889099999969  0.3053534299999967   F   F   F
  0.8143473000000014  0.6576021099999991  0.6531398799999977   T   T   T
  0.5977137799999994  0.8709951900000021  0.1478789399999982   F   F   F
  0.5837804399999982  0.9263412099999968  0.4635042199999972   F   F   F
  0.8507404899999997  0.8517691799999980  0.2267137700000035   F   F   F
  0.8344923300000033  0.8561541199999994  0.5453528500000004   T   T   T
  0.9643098800000018  0.3889813300000000  0.6504940399999981   T   T   T
  0.5441004099999986  0.2177848800000035  0.6533224699999991   T   T   T
  0.6235726199999974  0.4846842099999975  0.7219833199999997   T   T   T
  0.0652132299999977  0.0186806099999970  0.1036316300000024   F   F   F
  0.0751277999999971  0.0321993299999974  0.4387679299999974   F   F   F
  0.2950994199999997  0.2442205700000031  0.2686939700000011   F   F   F
  0.3073613700000024  0.1895920700000033  0.5531564099999997   T   T   T
  0.1480431199999970  0.2721398500000021  0.1078808199999983   F   F   F
  0.1498128599999973  0.2800334599999985  0.4152689699999996   F   F   F
  0.4117994400000029  0.4930399799999989  0.2681713899999991   F   F   F
  0.3541316000000023  0.4426942799999978  0.5960063699999978   T   T   T
  0.4588111899999987  0.3123866899999967  0.1843713000000022   F   F   F
  0.4420704099999995  0.3783973000000032  0.4809405900000030   F   F   F
  0.2163444500000011  0.4389706199999992  0.1946863000000008   F   F   F
  0.1915662099999977  0.4059910499999972  0.5147396500000028   T   T   T
  0.2609689900000021  0.0737210599999969  0.3565797199999992   F   F   F
  0.1511141699999996  0.0754669499999991  0.6367746600000004   T   T   T
  0.0076425399999991  0.1481620200000009  0.3364117799999988   F   F   F
  0.8955856899999972  0.2318275700000001  0.6577461799999966   T   T   T
  0.0444176100000035  0.5237991899999983  0.1099948399999988   F   F   F
  0.0645290200000019  0.5305551399999970  0.4315524299999964   F   F   F
  0.3019523000000035  0.7456197599999967  0.2685175100000023   F   F   F
  0.3746078300000022  0.6885633500000026  0.5604422400000004   T   T   T
  0.1594312900000006  0.7660811599999988  0.1069393599999984   F   F   F
  0.1376742799999988  0.7817534499999965  0.4124105000000000   F   F   F
  0.4153838300000032  0.9957112900000027  0.2685850700000003   F   F   F
  0.3718503099999992  0.9435749399999978  0.5919990499999983   T   T   T
  0.4702289100000030  0.8128665699999971  0.1858788999999987   F   F   F
  0.4334701200000026  0.8737050000000011  0.4839233000000007   F   F   F
  0.2271501099999966  0.9384463299999979  0.1924569600000012   F   F   F
  0.1805948900000018  0.8677276800000016  0.5198114000000018   T   T   T
  0.2707128200000000  0.5808338000000006  0.3587071999999978   F   F   F
  0.0223591700000014  0.6457715900000025  0.3272711199999989   F   F   F
  0.9321375299999985  0.5453111899999996  0.6772007300000027   T   T   T
  0.5516023799999985  0.9912792900000014  0.1048003200000025   F   F   F
  0.5691796999999994  0.0837265099999982  0.4417868600000006   F   F   F
  0.8110677499999994  0.1983824599999977  0.2567758599999976   F   F   F
  0.7810901799999996  0.2003370500000017  0.5558834699999977   T   T   T
  0.6441293500000000  0.2402922200000006  0.1085634399999975   F   F   F
  0.6524465500000005  0.3281592900000021  0.4104981199999997   F   F   F
  0.8727145699999994  0.4483564399999977  0.2838451399999968   F   F   F
  0.9142727699999966  0.4303418200000024  0.5863120699999982   T   T   T
  0.9687536799999990  0.3327900700000015  0.1861819200000028   F   F   F
  0.9400930999999986  0.3299634999999981  0.4874122900000017   F   F   F
  0.7099026400000028  0.4087797399999999  0.1948360199999968   F   F   F
  0.6997081499999993  0.4373427399999983  0.5147969900000007   T   T   T
  0.7524395699999999  0.1009719199999992  0.3601157499999985   F   F   F
  0.6675146299999994  0.0983659899999978  0.6519423900000021   T   T   T
  0.5018955500000004  0.1894271999999972  0.3382094899999970   F   F   F
  0.3947841600000004  0.1475445000000022  0.6633390300000030   T   T   T
  0.5478347900000031  0.4924723399999991  0.1060076099999989   F   F   F
  0.5815036099999986  0.5824969499999995  0.4383567599999978   F   F   F
  0.8197924600000022  0.6991610999999978  0.2517169099999990   F   F   F
  0.8233919299999997  0.7189699799999971  0.5869886699999967   T   T   T
  0.6482452400000014  0.7393398999999974  0.1077995899999991   F   F   F
  0.6420782699999990  0.8341948799999983  0.4112192999999991   F   F   F
  0.8832029499999976  0.9480841800000022  0.2818615699999967   F   F   F
  0.8849756299999996  0.9787852299999997  0.5935304500000029   T   T   T
  0.9787414299999995  0.8380921999999984  0.1831545399999968   F   F   F
  0.9302890900000023  0.8320716300000015  0.4862960700000016   F   F   F
  0.7204095399999986  0.9130090299999978  0.1919217000000017   F   F   F
  0.6872778500000010  0.9088389300000017  0.5195702800000035   T   T   T
  0.7698552800000016  0.6254970199999974  0.3600654000000034   F   F   F
  0.6711890799999978  0.5733153400000006  0.6646152200000017   T   T   T
  0.5138208799999973  0.6849176300000011  0.3345048500000019   F   F   F
  0.3992679699999968  0.6183177500000028  0.6742500100000015   T   T   T
  0.5604531999999978  0.3374978200000029  0.7004891200000003   T   T   T
  0.5443415200000032  0.2774955900000009  0.5875502600000004   T   T   T
  0.8317935500000004  0.7824991900000029  0.6994280400000008   T   T   T
  0.1210373700000034  0.3651009200000033  0.6718624599999998   T   T   T
  0.1586109899999997  0.6507784900000004  0.6217274400000008   T   T   T
  0.7581502199999974  0.4335560999999970  0.7607433100000023   T   T   T
  0.5256009599999985  0.5711449699999989  0.7662373100000011   T   T   T
  0.0967915000000019  0.1155372600000035  0.1077401100000017   F   F   F
  0.1933645399999975  0.3012927400000009  0.0730195200000026   F   F   F
  0.0895797000000016  0.6155764199999965  0.1100350700000021   F   F   F
  0.2036784900000015  0.7916028900000001  0.0713381699999971   F   F   F
  0.5859962299999992  0.0874080399999997  0.1085174199999983   F   F   F
  0.6827396899999982  0.2675410499999984  0.0720603899999972   F   F   F
  0.5862665399999969  0.5871103400000024  0.1087894300000016   F   F   F
  0.6882283999999999  0.7652751099999975  0.0713836999999984   F   F   F
  0.6136670499999966  0.2329361099999971  0.5633936500000019   T   T   T
  0.0813657599999971  0.0183927699999984  0.6183785200000003   T   T   T
  0.7703533500000006  0.8603270300000005  0.6955219999999969   T   T   T
  0.1459431999999978  0.2675318000000004  0.6726642100000007   T   T   T
  0.1062284599999970  0.6177993800000010  0.6546424200000018   T   T   T
  0.8292520899999971  0.5023721000000023  0.7664593200000027   T   T   T
  0.5508572700000016  0.5579531799999984  0.8054241500000003   T   T   T
  0.3717500200000003  0.6842583099999970  0.7035442299999985   T   T   T
 
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