./iterations/neb0_image09_iter1_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
  0.3043928800000018  0.0895261200000022  0.6094597100000030   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
  0.3402493800000030  0.3506467799999982  0.5371560900000034   T   T   T
  0.1225967100000034  0.6326482600000034  0.3822521299999977   F   F   F
  0.3733533899999983  0.6257182499999985  0.3069402499999967   F   F   F
  0.3181581799999975  0.5978776500000009  0.6141048699999985   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
  0.3391866300000004  0.8412586899999965  0.5386302200000017   T   T   T
  0.6185366899999991  0.1746592100000015  0.3870079300000029   F   F   F
  0.8632075299999968  0.1003721299999967  0.3084793700000006   F   F   F
  0.8124455800000021  0.1218785299999965  0.6165094600000032   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
  0.8315263799999997  0.3538042200000007  0.5361881400000001   T   T   T
  0.6259153900000030  0.6802850400000011  0.3854239300000017   F   F   F
  0.8696049799999983  0.6060889099999969  0.3053534299999967   F   F   F
  0.8161577500000021  0.6574692800000008  0.6529930100000030   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
  0.8344652500000009  0.8565045900000001  0.5451824700000003   T   T   T
  0.9642758800000024  0.3888138000000012  0.6505610500000003   T   T   T
  0.5454008700000017  0.2155062300000026  0.6534283100000025   T   T   T
  0.6321312600000013  0.4777205400000000  0.7198788199999981   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
  0.3080665999999965  0.1886311299999974  0.5529580600000017   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
  0.3533074899999988  0.4416372000000024  0.5955657700000003   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
  0.1911342699999992  0.4057440899999989  0.5147122600000031   T   T   T
  0.2609689900000021  0.0737210599999969  0.3565797199999992   F   F   F
  0.1508487700000032  0.0760373700000017  0.6367666100000022   T   T   T
  0.0076425399999991  0.1481620200000009  0.3364117799999988   F   F   F
  0.8958509500000034  0.2313606299999975  0.6574268500000002   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
  0.3739990600000027  0.6879294700000003  0.5598999199999994   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
  0.3714652600000008  0.9427981299999999  0.5922091799999976   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
  0.1805432299999978  0.8682884700000031  0.5198795000000018   T   T   T
  0.2707128200000000  0.5808338000000006  0.3587071999999978   F   F   F
  0.0223591700000014  0.6457715900000025  0.3272711199999989   F   F   F
  0.9356777799999989  0.5468359999999990  0.6766410700000023   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
  0.7807842799999989  0.2002433500000009  0.5557416700000033   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
  0.9138026400000001  0.4304814500000020  0.5864238500000027   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
  0.6995136999999971  0.4372421699999975  0.5147889100000000   T   T   T
  0.7524395699999999  0.1009719199999992  0.3601157499999985   F   F   F
  0.6681590199999974  0.0953518399999993  0.6514750199999995   T   T   T
  0.5018955500000004  0.1894271999999972  0.3382094899999970   F   F   F
  0.3950034399999964  0.1474936299999996  0.6634496200000015   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
  0.8230843899999982  0.7194194400000029  0.5869005300000012   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
  0.8853540599999974  0.9784891299999998  0.5933425200000002   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
  0.6871125500000019  0.9089882600000010  0.5195389499999976   T   T   T
  0.7698552800000016  0.6254970199999974  0.3600654000000034   F   F   F
  0.6763540999999975  0.5680881799999966  0.6638459400000016   T   T   T
  0.5138208799999973  0.6849176300000011  0.3345048500000019   F   F   F
  0.3997184400000009  0.6154928999999996  0.6745010100000002   T   T   T
  0.5685043599999986  0.3317664500000035  0.7013428699999977   T   T   T
  0.5451780400000033  0.2780279600000028  0.5882347399999972   T   T   T
  0.8315703299999981  0.7826064599999967  0.6993453600000024   T   T   T
  0.1209290899999971  0.3647370799999976  0.6717594599999970   T   T   T
  0.1600499799999966  0.6511882200000016  0.6214832300000026   T   T   T
  0.7604847799999988  0.4325310700000031  0.7569595000000007   T   T   T
  0.5260797099999976  0.5764235899999974  0.7717730500000002   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
  0.6137202500000001  0.2337975399999976  0.5636075199999979   T   T   T
  0.0812663499999999  0.0188778899999988  0.6182987600000018   T   T   T
  0.7703006400000021  0.8607710200000014  0.6955288300000007   T   T   T
  0.1454358399999975  0.2671009399999988  0.6724186499999973   T   T   T
  0.1056478100000007  0.6176002099999991  0.6536850199999975   T   T   T
  0.8327327499999981  0.4927255599999967  0.7653886399999976   T   T   T
  0.5548929500000028  0.5538391999999988  0.8075156499999991   T   T   T
  0.3723670899999973  0.6959897400000017  0.7053980499999994   T   T   T
 
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