./iterations/neb0_image09_iter40_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
  0.3041916399999991  0.0898222399999966  0.6094872700000025   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
  0.3408400000000000  0.3515440799999965  0.5374170300000003   T   T   T
  0.1225967100000034  0.6326482600000034  0.3822521299999977   F   F   F
  0.3733533899999983  0.6257182499999985  0.3069402499999967   F   F   F
  0.3171745499999972  0.5987627800000013  0.6142914300000015   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
  0.3392823800000002  0.8416331000000028  0.5386770400000032   T   T   T
  0.6185366899999991  0.1746592100000015  0.3870079300000029   F   F   F
  0.8632075299999968  0.1003721299999967  0.3084793700000006   F   F   F
  0.8120029199999976  0.1226712400000025  0.6168958200000034   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
  0.8315137299999975  0.3538902399999984  0.5361784500000013   T   T   T
  0.6259153900000030  0.6802850400000011  0.3854239300000017   F   F   F
  0.8696049799999983  0.6060889099999969  0.3053534299999967   F   F   F
  0.8141529899999966  0.6576408999999970  0.6533258099999983   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
  0.8344376900000015  0.8565331799999996  0.5452601599999980   T   T   T
  0.9640927100000027  0.3888369399999974  0.6505627299999972   T   T   T
  0.5435412699999986  0.2187220300000021  0.6534278700000016   T   T   T
  0.6247798699999976  0.4839356299999977  0.7220758599999968   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
  0.3072020600000016  0.1896892500000007  0.5532046599999987   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
  0.3538099299999971  0.4428052499999993  0.5957048699999987   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
  0.1914169599999980  0.4060666100000034  0.5146713999999974   T   T   T
  0.2609689900000021  0.0737210599999969  0.3565797199999992   F   F   F
  0.1508951699999983  0.0754884899999979  0.6368290599999966   T   T   T
  0.0076425399999991  0.1481620200000009  0.3364117799999988   F   F   F
  0.8956141600000009  0.2320893699999971  0.6578099700000024   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
  0.3739790500000026  0.6886779599999997  0.5602507799999970   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
  0.3719827199999983  0.9438673599999987  0.5918831400000002   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
  0.1805437900000015  0.8678024900000025  0.5198876799999965   T   T   T
  0.2707128200000000  0.5808338000000006  0.3587071999999978   F   F   F
  0.0223591700000014  0.6457715900000025  0.3272711199999989   F   F   F
  0.9317424899999978  0.5448558300000030  0.6773207000000028   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
  0.7808772899999994  0.2004713400000000  0.5559505700000003   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
  0.9143779500000022  0.4304618500000004  0.5862932900000004   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
  0.6996252200000015  0.4373567700000009  0.5147753899999969   T   T   T
  0.7524395699999999  0.1009719199999992  0.3601157499999985   F   F   F
  0.6675779500000019  0.0991180500000013  0.6521957900000004   T   T   T
  0.5018955500000004  0.1894271999999972  0.3382094899999970   F   F   F
  0.3944540999999973  0.1476183400000011  0.6635044200000024   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
  0.8228734699999976  0.7190896600000016  0.5869742300000027   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
  0.8842432200000019  0.9788461500000025  0.5937187299999991   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
  0.6871078400000030  0.9087829099999993  0.5195657499999982   T   T   T
  0.7698552800000016  0.6254970199999974  0.3600654000000034   F   F   F
  0.6713921699999972  0.5733014500000024  0.6651297800000009   T   T   T
  0.5138208799999973  0.6849176300000011  0.3345048500000019   F   F   F
  0.3992723200000015  0.6184010999999998  0.6739004100000017   T   T   T
  0.5602314699999980  0.3378836500000020  0.7004721099999998   T   T   T
  0.5440297000000029  0.2779832900000017  0.5873938900000013   T   T   T
  0.8324602200000015  0.7831278000000026  0.6995994299999992   T   T   T
  0.1208927500000030  0.3653885399999979  0.6718046100000024   T   T   T
  0.1583108199999970  0.6506056500000028  0.6216892799999982   T   T   T
  0.7584033500000018  0.4343020199999970  0.7607922199999990   T   T   T
  0.5247652799999969  0.5707811199999995  0.7658926699999995   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
  0.6136048999999986  0.2327965400000025  0.5634125799999978   T   T   T
  0.0813940900000034  0.0183604599999967  0.6183627799999982   T   T   T
  0.7703236099999984  0.8606971800000025  0.6956434399999978   T   T   T
  0.1459203900000006  0.2679033599999983  0.6726733599999974   T   T   T
  0.1060439600000009  0.6181315099999978  0.6546647500000020   T   T   T
  0.8291070300000030  0.5029998600000027  0.7665915799999965   T   T   T
  0.5511981300000031  0.5579616300000012  0.8051925600000018   T   T   T
  0.3716988199999989  0.6828889299999972  0.7033269799999999   T   T   T
 
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