./iterations/neb0_image09_iter55_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
  0.3038426999999970  0.0899774199999968  0.6095497000000023   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
  0.3406597399999995  0.3512396400000029  0.5372141499999969   T   T   T
  0.1225967100000034  0.6326482600000034  0.3822521299999977   F   F   F
  0.3733533899999983  0.6257182499999985  0.3069402499999967   F   F   F
  0.3162181300000029  0.5987899599999977  0.6137867300000011   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
  0.3389877400000003  0.8418971299999995  0.5386035399999969   T   T   T
  0.6185366899999991  0.1746592100000015  0.3870079300000029   F   F   F
  0.8632075299999968  0.1003721299999967  0.3084793700000006   F   F   F
  0.8114776500000005  0.1230447800000007  0.6170583299999990   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
  0.8315547300000006  0.3539508599999976  0.5361894899999982   T   T   T
  0.6259153900000030  0.6802850400000011  0.3854239300000017   F   F   F
  0.8696049799999983  0.6060889099999969  0.3053534299999967   F   F   F
  0.8145633099999969  0.6582003899999975  0.6535460899999990   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
  0.8340912299999985  0.8564583400000032  0.5454182400000036   T   T   T
  0.9640399099999968  0.3893457599999977  0.6505464099999969   T   T   T
  0.5432473199999990  0.2190778000000009  0.6534875799999966   T   T   T
  0.6254318599999991  0.4836299500000010  0.7220020999999974   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
  0.3066248399999978  0.1893240100000000  0.5530558700000014   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
  0.3531836800000008  0.4427835600000023  0.5953605300000007   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
  0.1913121799999971  0.4061624499999965  0.5146125600000033   T   T   T
  0.2609689900000021  0.0737210599999969  0.3565797199999992   F   F   F
  0.1504791200000000  0.0754416699999965  0.6368701999999971   T   T   T
  0.0076425399999991  0.1481620200000009  0.3364117799999988   F   F   F
  0.8957382199999984  0.2321125400000028  0.6579079999999990   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
  0.3726000699999972  0.6884843599999968  0.5597110900000004   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
  0.3721301599999975  0.9441222100000033  0.5918173999999965   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
  0.1802159300000028  0.8684527400000022  0.5199359400000034   T   T   T
  0.2707128200000000  0.5808338000000006  0.3587071999999978   F   F   F
  0.0223591700000014  0.6457715900000025  0.3272711199999989   F   F   F
  0.9322035499999970  0.5455780899999993  0.6773967099999965   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
  0.7806334400000026  0.2007524599999968  0.5560856000000030   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
  0.9144284099999993  0.4305445099999972  0.5862706799999984   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
  0.6996534299999979  0.4374756200000007  0.5147612299999977   T   T   T
  0.7524395699999999  0.1009719199999992  0.3601157499999985   F   F   F
  0.6670523800000012  0.0999102299999990  0.6523892800000013   T   T   T
  0.5018955500000004  0.1894271999999972  0.3382094899999970   F   F   F
  0.3941639399999985  0.1483666299999982  0.6634750500000024   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
  0.8221977400000000  0.7194268699999995  0.5872286600000010   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
  0.8833864899999995  0.9789631599999993  0.5939231400000011   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
  0.6869691899999992  0.9088944900000016  0.5195342900000028   T   T   T
  0.7698552800000016  0.6254970199999974  0.3600654000000034   F   F   F
  0.6720560500000019  0.5734046000000035  0.6652854399999981   T   T   T
  0.5138208799999973  0.6849176300000011  0.3345048500000019   F   F   F
  0.3993728599999997  0.6185036999999980  0.6734323700000004   T   T   T
  0.5612634499999984  0.3374869800000013  0.7006633600000001   T   T   T
  0.5436803400000016  0.2781933099999989  0.5875240299999973   T   T   T
  0.8332515900000033  0.7838174199999983  0.6995734699999971   T   T   T
  0.1208259499999969  0.3659544900000000  0.6716977900000032   T   T   T
  0.1573889200000025  0.6505300500000004  0.6214107699999971   T   T   T
  0.7586869499999978  0.4346499500000007  0.7608560999999980   T   T   T
  0.5238110399999982  0.5703009200000011  0.7658126500000009   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
  0.6131723800000017  0.2329957999999976  0.5635227900000004   T   T   T
  0.0811560100000008  0.0182482399999984  0.6183364199999986   T   T   T
  0.7707659699999994  0.8611596100000014  0.6959550899999982   T   T   T
  0.1459709299999972  0.2684907300000035  0.6726921099999998   T   T   T
  0.1056654799999990  0.6184360299999980  0.6546301400000019   T   T   T
  0.8297049500000000  0.5033693600000007  0.7667313899999968   T   T   T
  0.5519000000000034  0.5578958099999980  0.8056524400000029   T   T   T
  0.3715512899999993  0.6815825300000000  0.7031996300000003   T   T   T
 
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