./iterations/neb0_image09_iter57_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
  0.3037642199999979  0.0899760799999996  0.6095118799999995   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
  0.3405407899999986  0.3510956399999969  0.5372306599999987   T   T   T
  0.1225967100000034  0.6326482600000034  0.3822521299999977   F   F   F
  0.3733533899999983  0.6257182499999985  0.3069402499999967   F   F   F
  0.3158711199999971  0.5987440299999989  0.6136247499999996   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
  0.3388752999999980  0.8420064800000020  0.5386101200000013   T   T   T
  0.6185366899999991  0.1746592100000015  0.3870079300000029   F   F   F
  0.8632075299999968  0.1003721299999967  0.3084793700000006   F   F   F
  0.8114202900000009  0.1230935099999968  0.6170863500000010   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
  0.8315648299999978  0.3539221099999992  0.5361854399999970   T   T   T
  0.6259153900000030  0.6802850400000011  0.3854239300000017   F   F   F
  0.8696049799999983  0.6060889099999969  0.3053534299999967   F   F   F
  0.8146848100000028  0.6582823500000003  0.6535718700000004   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
  0.8340877400000011  0.8564787899999970  0.5454103300000028   T   T   T
  0.9640323799999990  0.3894263800000033  0.6505934300000007   T   T   T
  0.5431797500000002  0.2191104400000015  0.6535143500000018   T   T   T
  0.6257745300000011  0.4835062900000011  0.7219851099999985   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
  0.3064989599999990  0.1892501600000003  0.5530166500000036   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
  0.3530457499999997  0.4427449000000010  0.5953111199999981   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
  0.1912984499999979  0.4061598600000025  0.5145902499999977   T   T   T
  0.2609689900000021  0.0737210599999969  0.3565797199999992   F   F   F
  0.1504282000000003  0.0753985099999994  0.6368670800000018   T   T   T
  0.0076425399999991  0.1481620200000009  0.3364117799999988   F   F   F
  0.8958061200000031  0.2322606600000015  0.6579197699999995   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
  0.3722299900000010  0.6884340900000012  0.5595517300000026   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
  0.3721100599999971  0.9441388799999970  0.5918224699999968   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
  0.1801753399999981  0.8686919000000017  0.5199496999999980   T   T   T
  0.2707128200000000  0.5808338000000006  0.3587071999999978   F   F   F
  0.0223591700000014  0.6457715900000025  0.3272711199999989   F   F   F
  0.9324563400000017  0.5458110000000005  0.6773670700000025   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
  0.7805630300000033  0.2008481100000026  0.5561209399999996   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
  0.9144196700000009  0.4306364700000032  0.5862750300000030   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
  0.6996522000000027  0.4375154499999994  0.5147570700000017   T   T   T
  0.7524395699999999  0.1009719199999992  0.3601157499999985   F   F   F
  0.6669928299999981  0.0998573600000014  0.6524062499999985   T   T   T
  0.5018955500000004  0.1894271999999972  0.3382094899999970   F   F   F
  0.3939929499999977  0.1485904000000033  0.6634584099999969   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
  0.8220810199999988  0.7195092799999969  0.5872778299999979   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
  0.8831901399999964  0.9790171900000004  0.5939646400000029   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
  0.6870076200000028  0.9089100699999975  0.5195526400000006   T   T   T
  0.7698552800000016  0.6254970199999974  0.3600654000000034   F   F   F
  0.6722086500000017  0.5734498300000013  0.6652713699999993   T   T   T
  0.5138208799999973  0.6849176300000011  0.3345048500000019   F   F   F
  0.3994544899999966  0.6187510000000032  0.6734980499999992   T   T   T
  0.5616293799999994  0.3373506100000014  0.7007416900000010   T   T   T
  0.5435480699999999  0.2782699600000029  0.5875479999999982   T   T   T
  0.8334576800000022  0.7840083700000022  0.6995986800000011   T   T   T
  0.1208726400000018  0.3660780499999987  0.6716758399999989   T   T   T
  0.1571892799999972  0.6505088999999984  0.6213250099999996   T   T   T
  0.7587580699999990  0.4347776099999976  0.7608498199999971   T   T   T
  0.5235767300000020  0.5702581099999975  0.7660141100000004   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
  0.6130643799999973  0.2330952499999981  0.5635509000000027   T   T   T
  0.0810683099999991  0.0182357500000023  0.6183354200000011   T   T   T
  0.7709073799999970  0.8613203499999997  0.6960454099999964   T   T   T
  0.1459776499999990  0.2686702000000025  0.6726958100000004   T   T   T
  0.1055663799999991  0.6185059000000024  0.6545989700000021   T   T   T
  0.8298641000000018  0.5032886500000018  0.7667449699999977   T   T   T
  0.5520117700000000  0.5579012000000034  0.8057044199999979   T   T   T
  0.3715647699999991  0.6811968499999992  0.7031146599999971   T   T   T
 
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