vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 11 27 
  00:02:53 
 
 
  acetylene away from Si surface
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
       2
        0.00001000
       -0.02000000
     800
       3
       1
      400.00000000
        1.11000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.46892000       0.00000000       0.00000000 
            0.00000000      15.46892000       0.00000000 
            0.00000000       0.00000000      33.87636000 
    
       8106.18901809 
    
            0.06464575       0.00000000       0.00000000 
            0.00000000       0.06464575       0.00000000 
            0.00000000       0.00000000       0.02951911 
    
   
   
           0.06250000       0.00000000       0.27801633 
           0.18750000       0.00000000       0.72198367 
           0.06250000       0.00000000       0.43945900 
           0.18750000       0.00000000       0.56054100 
           0.06250000       0.00000000       0.60090167 
           0.18750000       0.00000000       0.39909833 
           0.06250000       0.00000000       0.76234434 
           0.18750000       0.00000000       0.23765566 
           0.06250000       0.12500000       0.31837700 
           0.18750000       0.12500000       0.68162300 
           0.06250000       0.12500000       0.47981967 
           0.18750000       0.12500000       0.52018033 
           0.06250000       0.12500000       0.64126234 
           0.18750000       0.12500000       0.35873766 
           0.06250000       0.12500000       0.80270501 
           0.18750000       0.12500000       0.19729499 
           0.06250000       0.25000000       0.27801633 
           0.18750000       0.25000000       0.72198367 
           0.06250000       0.25000000       0.43945900 
           0.18750000       0.25000000       0.56054100 
           0.06250000       0.25000000       0.60090167 
           0.18750000       0.25000000       0.39909833 
           0.06250000       0.25000000       0.76234434 
           0.18750000       0.25000000       0.23765566 
           0.06250000       0.37500000       0.31837700 
           0.18750000       0.37500000       0.68162300 
           0.06250000       0.37500000       0.47981967 
           0.18750000       0.37500000       0.52018033 
           0.06250000       0.37500000       0.64126234 
           0.18750000       0.37500000       0.35873766 
           0.06250000       0.37500000       0.80270501 
           0.18750000       0.37500000       0.19729499 
           0.06250000       0.50000000       0.27801633 
           0.18750000       0.50000000       0.72198367 
           0.06250000       0.50000000       0.43945900 
           0.18750000       0.50000000       0.56054100 
           0.06250000       0.50000000       0.60090167 
           0.18750000       0.50000000       0.39909833 
           0.06250000       0.50000000       0.76234434 
           0.18750000       0.50000000       0.23765566 
           0.06250000       0.62500000       0.31837700 
           0.18750000       0.62500000       0.68162300 
           0.06250000       0.62500000       0.47981967 
           0.18750000       0.62500000       0.52018033 
           0.06250000       0.62500000       0.64126234 
           0.18750000       0.62500000       0.35873766 
           0.06250000       0.62500000       0.80270501 
           0.18750000       0.62500000       0.19729499 
           0.06250000       0.75000000       0.27801633 
           0.18750000       0.75000000       0.72198367 
           0.06250000       0.75000000       0.43945900 
           0.18750000       0.75000000       0.56054100 
           0.06250000       0.75000000       0.60090167 
           0.18750000       0.75000000       0.39909833 
           0.06250000       0.75000000       0.76234434 
           0.18750000       0.75000000       0.23765566 
           0.06250000       0.87500000       0.31837700 
           0.18750000       0.87500000       0.68162300 
           0.06250000       0.87500000       0.47981967 
           0.18750000       0.87500000       0.52018033 
           0.06250000       0.87500000       0.64126234 
           0.18750000       0.87500000       0.35873766 
           0.06250000       0.87500000       0.80270501 
           0.18750000       0.87500000       0.19729499 
           0.31250000       0.00000000       0.27801633 
           0.43750000       0.00000000       0.72198367 
           0.31250000       0.00000000       0.43945900 
           0.43750000       0.00000000       0.56054100 
           0.31250000       0.00000000       0.60090167 
           0.43750000       0.00000000       0.39909833 
           0.31250000       0.00000000       0.76234434 
           0.43750000       0.00000000       0.23765566 
           0.31250000       0.12500000       0.31837700 
           0.43750000       0.12500000       0.68162300 
           0.31250000       0.12500000       0.47981967 
           0.43750000       0.12500000       0.52018033 
           0.31250000       0.12500000       0.64126234 
           0.43750000       0.12500000       0.35873766 
           0.31250000       0.12500000       0.80270501 
           0.43750000       0.12500000       0.19729499 
           0.31250000       0.25000000       0.27801633 
           0.43750000       0.25000000       0.72198367 
           0.31250000       0.25000000       0.43945900 
           0.43750000       0.25000000       0.56054100 
           0.31250000       0.25000000       0.60090167 
           0.43750000       0.25000000       0.39909833 
           0.31250000       0.25000000       0.76234434 
           0.43750000       0.25000000       0.23765566 
           0.31250000       0.37500000       0.31837700 
           0.43750000       0.37500000       0.68162300 
           0.31250000       0.37500000       0.47981967 
           0.43750000       0.37500000       0.52018033 
           0.31250000       0.37500000       0.64126234 
           0.43750000       0.37500000       0.35873766 
           0.31250000       0.37500000       0.80270501 
           0.43750000       0.37500000       0.19729499 
           0.31250000       0.50000000       0.27801633 
           0.43750000       0.50000000       0.72198367 
           0.31250000       0.50000000       0.43945900 
           0.43750000       0.50000000       0.56054100 
           0.31250000       0.50000000       0.60090167 
           0.43750000       0.50000000       0.39909833 
           0.31250000       0.50000000       0.76234434 
           0.43750000       0.50000000       0.23765566 
           0.31250000       0.62500000       0.31837700 
           0.43750000       0.62500000       0.68162300 
           0.31250000       0.62500000       0.47981967 
           0.43750000       0.62500000       0.52018033 
           0.31250000       0.62500000       0.64126234 
           0.43750000       0.62500000       0.35873766 
           0.31250000       0.62500000       0.80270501 
           0.43750000       0.62500000       0.19729499 
           0.31250000       0.75000000       0.27801633 
           0.43750000       0.75000000       0.72198367 
           0.31250000       0.75000000       0.43945900 
           0.43750000       0.75000000       0.56054100 
           0.31250000       0.75000000       0.60090167 
           0.43750000       0.75000000       0.39909833 
           0.31250000       0.75000000       0.76234434 
           0.43750000       0.75000000       0.23765566 
           0.31250000       0.87500000       0.31837700 
           0.43750000       0.87500000       0.68162300 
           0.31250000       0.87500000       0.47981967 
           0.43750000       0.87500000       0.52018033 
           0.31250000       0.87500000       0.64126234 
           0.43750000       0.87500000       0.35873766 
           0.31250000       0.87500000       0.80270501 
           0.43750000       0.87500000       0.19729499 
           0.56250000       0.00000000       0.27801633 
           0.68750000       0.00000000       0.72198367 
           0.56250000       0.00000000       0.43945900 
           0.68750000       0.00000000       0.56054100 
           0.56250000       0.00000000       0.60090167 
           0.68750000       0.00000000       0.39909833 
           0.56250000       0.00000000       0.76234434 
           0.68750000       0.00000000       0.23765566 
           0.56250000       0.12500000       0.31837700 
           0.68750000       0.12500000       0.68162300 
           0.56250000       0.12500000       0.47981967 
           0.68750000       0.12500000       0.52018033 
           0.56250000       0.12500000       0.64126234 
           0.68750000       0.12500000       0.35873766 
           0.56250000       0.12500000       0.80270501 
           0.68750000       0.12500000       0.19729499 
           0.56250000       0.25000000       0.27801633 
           0.68750000       0.25000000       0.72198367 
           0.56250000       0.25000000       0.43945900 
           0.68750000       0.25000000       0.56054100 
           0.56250000       0.25000000       0.60090167 
           0.68750000       0.25000000       0.39909833 
           0.56250000       0.25000000       0.76234434 
           0.68750000       0.25000000       0.23765566 
           0.56250000       0.37500000       0.31837700 
           0.68750000       0.37500000       0.68162300 
           0.56250000       0.37500000       0.47981967 
           0.68750000       0.37500000       0.52018033 
           0.56250000       0.37500000       0.64126234 
           0.68750000       0.37500000       0.35873766 
           0.56250000       0.37500000       0.80270501 
           0.68750000       0.37500000       0.19729499 
           0.56250000       0.50000000       0.27801633 
           0.68750000       0.50000000       0.72198367 
           0.56250000       0.50000000       0.43945900 
           0.68750000       0.50000000       0.56054100 
           0.56250000       0.50000000       0.60090167 
           0.68750000       0.50000000       0.39909833 
           0.56250000       0.50000000       0.76234434 
           0.68750000       0.50000000       0.23765566 
           0.56250000       0.62500000       0.31837700 
           0.68750000       0.62500000       0.68162300 
           0.56250000       0.62500000       0.47981967 
           0.68750000       0.62500000       0.52018033 
           0.56250000       0.62500000       0.64126234 
           0.68750000       0.62500000       0.35873766 
           0.56250000       0.62500000       0.80270501 
           0.68750000       0.62500000       0.19729499 
           0.56250000       0.75000000       0.27801633 
           0.68750000       0.75000000       0.72198367 
           0.56250000       0.75000000       0.43945900 
           0.68750000       0.75000000       0.56054100 
           0.56250000       0.75000000       0.60090167 
           0.68750000       0.75000000       0.39909833 
           0.56250000       0.75000000       0.76234434 
           0.68750000       0.75000000       0.23765566 
           0.56250000       0.87500000       0.31837700 
           0.68750000       0.87500000       0.68162300 
           0.56250000       0.87500000       0.47981967 
           0.68750000       0.87500000       0.52018033 
           0.56250000       0.87500000       0.64126234 
           0.68750000       0.87500000       0.35873766 
           0.56250000       0.87500000       0.80270501 
           0.68750000       0.87500000       0.19729499 
           0.81250000       0.00000000       0.27801633 
           0.93750000       0.00000000       0.72198367 
           0.81250000       0.00000000       0.43945900 
           0.93750000       0.00000000       0.56054100 
           0.81250000       0.00000000       0.60090167 
           0.93750000       0.00000000       0.39909833 
           0.81250000       0.00000000       0.76234434 
           0.93750000       0.00000000       0.23765566 
           0.81250000       0.12500000       0.31837700 
           0.93750000       0.12500000       0.68162300 
           0.81250000       0.12500000       0.47981967 
           0.93750000       0.12500000       0.52018033 
           0.81250000       0.12500000       0.64126234 
           0.93750000       0.12500000       0.35873766 
           0.81250000       0.12500000       0.80270501 
           0.93750000       0.12500000       0.19729499 
           0.81250000       0.25000000       0.27801633 
           0.93750000       0.25000000       0.72198367 
           0.81250000       0.25000000       0.43945900 
           0.93750000       0.25000000       0.56054100 
           0.81250000       0.25000000       0.60090167 
           0.93750000       0.25000000       0.39909833 
           0.81250000       0.25000000       0.76234434 
           0.93750000       0.25000000       0.23765566 
           0.81250000       0.37500000       0.31837700 
           0.93750000       0.37500000       0.68162300 
           0.81250000       0.37500000       0.47981967 
           0.93750000       0.37500000       0.52018033 
           0.81250000       0.37500000       0.64126234 
           0.93750000       0.37500000       0.35873766 
           0.81250000       0.37500000       0.80270501 
           0.93750000       0.37500000       0.19729499 
           0.81250000       0.50000000       0.27801633 
           0.93750000       0.50000000       0.72198367 
           0.81250000       0.50000000       0.43945900 
           0.93750000       0.50000000       0.56054100 
           0.81250000       0.50000000       0.60090167 
           0.93750000       0.50000000       0.39909833 
           0.81250000       0.50000000       0.76234434 
           0.93750000       0.50000000       0.23765566 
           0.81250000       0.62500000       0.31837700 
           0.93750000       0.62500000       0.68162300 
           0.81250000       0.62500000       0.47981967 
           0.93750000       0.62500000       0.52018033 
           0.81250000       0.62500000       0.64126234 
           0.93750000       0.62500000       0.35873766 
           0.81250000       0.62500000       0.80270501 
           0.93750000       0.62500000       0.19729499 
           0.81250000       0.75000000       0.27801633 
           0.93750000       0.75000000       0.72198367 
           0.81250000       0.75000000       0.43945900 
           0.93750000       0.75000000       0.56054100 
           0.81250000       0.75000000       0.60090167 
           0.93750000       0.75000000       0.39909833 
           0.81250000       0.75000000       0.76234434 
           0.93750000       0.75000000       0.23765566 
           0.81250000       0.87500000       0.31837700 
           0.93750000       0.87500000       0.68162300 
           0.81250000       0.87500000       0.47981967 
           0.93750000       0.87500000       0.52018033 
           0.81250000       0.87500000       0.64126234 
           0.93750000       0.87500000       0.35873766 
           0.81250000       0.87500000       0.80270501 
           0.93750000       0.87500000       0.19729499 
           0.11231625       0.12498780       0.17286168 
           0.11231625       0.37501220       0.17286168 
           0.11232576       0.62498813       0.17285111 
           0.11231261       0.87501360       0.17286448 
           0.36231063       0.12498640       0.17286589 
           0.36231063       0.37501360       0.17286589 
           0.36225831       0.62497520       0.17290224 
           0.36231261       0.87501361       0.17286448 
           0.61231626       0.12501220       0.17286168 
           0.61231626       0.37498780       0.17286168 
           0.76274169       0.62497520       0.17290224 
           0.61231261       0.87501361       0.17286448 
           0.86231063       0.12501360       0.17286589 
           0.86231063       0.37498640       0.17286589 
           0.01267424       0.62498813       0.17285111 
           0.86231261       0.87501361       0.17286448 
           0.26291462       0.12501826       0.17301626 
           0.26291462       0.37498173       0.17301626 
           0.26291511       0.62501844       0.17302060 
           0.26290991       0.87498189       0.17301268 
           0.51290844       0.12501553       0.17301203 
           0.51290844       0.37498447       0.17301203 
           0.51283541       0.62500519       0.17293837 
           0.51290991       0.87498189       0.17301268 
           0.76291462       0.12498173       0.17301626 
           0.76291462       0.37501826       0.17301626 
           0.61216458       0.62500519       0.17293837 
           0.76290992       0.87498189       0.17301268 
           0.01290844       0.12498447       0.17301203 
           0.01290844       0.37501553       0.17301203 
           0.86208489       0.62501844       0.17302060 
           0.01290992       0.87498189       0.17301268 
           0.40856990       0.49277791       0.95470965 
           0.62022682       0.49277791       0.95470965 
           0.47861539       0.49277791       0.95470965 
           0.55018134       0.49277791       0.95470965 
   
  
  
           1 
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          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   acetylene away from Si surface
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      680
       -1
       -1
      1066.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       80
       80
      168
      160
      160
      336
    F  
  
  
      800
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.77000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        16.65655278
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      180
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       292 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     256Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      34H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          15.46892000       0.00000000       0.00000000 
           0.00000000      15.46892000       0.00000000 
           0.00000000       0.00000000      33.87636000 
   
      8106.18901809 
   
           0.06464575       0.00000000       0.00000000 
           0.00000000       0.06464575       0.00000000 
           0.00000000       0.00000000       0.02951911 
   
  
  
          0.06250000       0.00000000       0.27801633 
          0.18750000       0.00000000       0.72198367 
          0.06250000       0.00000000       0.43945900 
          0.18750000       0.00000000       0.56054100 
          0.06250000       0.00000000       0.60090167 
          0.18750000       0.00000000       0.39909833 
          0.06250000       0.00000000       0.76234434 
          0.18750000       0.00000000       0.23765566 
          0.06250000       0.12500000       0.31837700 
          0.18750000       0.12500000       0.68162300 
          0.06250000       0.12500000       0.47981967 
          0.18750000       0.12500000       0.52018033 
          0.06250000       0.12500000       0.64126234 
          0.18750000       0.12500000       0.35873766 
          0.06250000       0.12500000       0.80270501 
          0.18750000       0.12500000       0.19729499 
          0.06250000       0.25000000       0.27801633 
          0.18750000       0.25000000       0.72198367 
          0.06250000       0.25000000       0.43945900 
          0.18750000       0.25000000       0.56054100 
          0.06250000       0.25000000       0.60090167 
          0.18750000       0.25000000       0.39909833 
          0.06250000       0.25000000       0.76234434 
          0.18750000       0.25000000       0.23765566 
          0.06250000       0.37500000       0.31837700 
          0.18750000       0.37500000       0.68162300 
          0.06250000       0.37500000       0.47981967 
          0.18750000       0.37500000       0.52018033 
          0.06250000       0.37500000       0.64126234 
          0.18750000       0.37500000       0.35873766 
          0.06250000       0.37500000       0.80270501 
          0.18750000       0.37500000       0.19729499 
          0.06250000       0.50000000       0.27801633 
          0.18750000       0.50000000       0.72198367 
          0.06250000       0.50000000       0.43945900 
          0.18750000       0.50000000       0.56054100 
          0.06250000       0.50000000       0.60090167 
          0.18750000       0.50000000       0.39909833 
          0.06250000       0.50000000       0.76234434 
          0.18750000       0.50000000       0.23765566 
          0.06250000       0.62500000       0.31837700 
          0.18750000       0.62500000       0.68162300 
          0.06250000       0.62500000       0.47981967 
          0.18750000       0.62500000       0.52018033 
          0.06250000       0.62500000       0.64126234 
          0.18750000       0.62500000       0.35873766 
          0.06250000       0.62500000       0.80270501 
          0.18750000       0.62500000       0.19729499 
          0.06250000       0.75000000       0.27801633 
          0.18750000       0.75000000       0.72198367 
          0.06250000       0.75000000       0.43945900 
          0.18750000       0.75000000       0.56054100 
          0.06250000       0.75000000       0.60090167 
          0.18750000       0.75000000       0.39909833 
          0.06250000       0.75000000       0.76234434 
          0.18750000       0.75000000       0.23765566 
          0.06250000       0.87500000       0.31837700 
          0.18750000       0.87500000       0.68162300 
          0.06250000       0.87500000       0.47981967 
          0.18750000       0.87500000       0.52018033 
          0.06250000       0.87500000       0.64126234 
          0.18750000       0.87500000       0.35873766 
          0.06250000       0.87500000       0.80270501 
          0.18750000       0.87500000       0.19729499 
          0.31250000       0.00000000       0.27801633 
          0.43750000       0.00000000       0.72198367 
          0.31250000       0.00000000       0.43945900 
          0.43750000       0.00000000       0.56054100 
          0.31250000       0.00000000       0.60090167 
          0.43750000       0.00000000       0.39909833 
          0.31250000       0.00000000       0.76234434 
          0.43750000       0.00000000       0.23765566 
          0.31250000       0.12500000       0.31837700 
          0.43750000       0.12500000       0.68162300 
          0.31250000       0.12500000       0.47981967 
          0.43750000       0.12500000       0.52018033 
          0.31250000       0.12500000       0.64126234 
          0.43750000       0.12500000       0.35873766 
          0.31250000       0.12500000       0.80270501 
          0.43750000       0.12500000       0.19729499 
          0.31250000       0.25000000       0.27801633 
          0.43750000       0.25000000       0.72198367 
          0.31250000       0.25000000       0.43945900 
          0.43750000       0.25000000       0.56054100 
          0.31250000       0.25000000       0.60090167 
          0.43750000       0.25000000       0.39909833 
          0.31250000       0.25000000       0.76234434 
          0.43750000       0.25000000       0.23765566 
          0.31250000       0.37500000       0.31837700 
          0.43750000       0.37500000       0.68162300 
          0.31250000       0.37500000       0.47981967 
          0.43750000       0.37500000       0.52018033 
          0.31250000       0.37500000       0.64126234 
          0.43750000       0.37500000       0.35873766 
          0.31250000       0.37500000       0.80270501 
          0.43750000       0.37500000       0.19729499 
          0.31250000       0.50000000       0.27801633 
          0.43750000       0.50000000       0.72198367 
          0.31250000       0.50000000       0.43945900 
          0.43750000       0.50000000       0.56054100 
          0.31250000       0.50000000       0.60090167 
          0.43750000       0.50000000       0.39909833 
          0.31250000       0.50000000       0.76234434 
          0.43750000       0.50000000       0.23765566 
          0.31250000       0.62500000       0.31837700 
          0.43750000       0.62500000       0.68162300 
          0.31250000       0.62500000       0.47981967 
          0.43750000       0.62500000       0.52018033 
          0.31250000       0.62500000       0.64126234 
          0.43750000       0.62500000       0.35873766 
          0.31250000       0.62500000       0.80270501 
          0.43750000       0.62500000       0.19729499 
          0.31250000       0.75000000       0.27801633 
          0.43750000       0.75000000       0.72198367 
          0.31250000       0.75000000       0.43945900 
          0.43750000       0.75000000       0.56054100 
          0.31250000       0.75000000       0.60090167 
          0.43750000       0.75000000       0.39909833 
          0.31250000       0.75000000       0.76234434 
          0.43750000       0.75000000       0.23765566 
          0.31250000       0.87500000       0.31837700 
          0.43750000       0.87500000       0.68162300 
          0.31250000       0.87500000       0.47981967 
          0.43750000       0.87500000       0.52018033 
          0.31250000       0.87500000       0.64126234 
          0.43750000       0.87500000       0.35873766 
          0.31250000       0.87500000       0.80270501 
          0.43750000       0.87500000       0.19729499 
          0.56250000       0.00000000       0.27801633 
          0.68750000       0.00000000       0.72198367 
          0.56250000       0.00000000       0.43945900 
          0.68750000       0.00000000       0.56054100 
          0.56250000       0.00000000       0.60090167 
          0.68750000       0.00000000       0.39909833 
          0.56250000       0.00000000       0.76234434 
          0.68750000       0.00000000       0.23765566 
          0.56250000       0.12500000       0.31837700 
          0.68750000       0.12500000       0.68162300 
          0.56250000       0.12500000       0.47981967 
          0.68750000       0.12500000       0.52018033 
          0.56250000       0.12500000       0.64126234 
          0.68750000       0.12500000       0.35873766 
          0.56250000       0.12500000       0.80270501 
          0.68750000       0.12500000       0.19729499 
          0.56250000       0.25000000       0.27801633 
          0.68750000       0.25000000       0.72198367 
          0.56250000       0.25000000       0.43945900 
          0.68750000       0.25000000       0.56054100 
          0.56250000       0.25000000       0.60090167 
          0.68750000       0.25000000       0.39909833 
          0.56250000       0.25000000       0.76234434 
          0.68750000       0.25000000       0.23765566 
          0.56250000       0.37500000       0.31837700 
          0.68750000       0.37500000       0.68162300 
          0.56250000       0.37500000       0.47981967 
          0.68750000       0.37500000       0.52018033 
          0.56250000       0.37500000       0.64126234 
          0.68750000       0.37500000       0.35873766 
          0.56250000       0.37500000       0.80270501 
          0.68750000       0.37500000       0.19729499 
          0.56250000       0.50000000       0.27801633 
          0.68750000       0.50000000       0.72198367 
          0.56250000       0.50000000       0.43945900 
          0.68750000       0.50000000       0.56054100 
          0.56250000       0.50000000       0.60090167 
          0.68750000       0.50000000       0.39909833 
          0.56250000       0.50000000       0.76234434 
          0.68750000       0.50000000       0.23765566 
          0.56250000       0.62500000       0.31837700 
          0.68750000       0.62500000       0.68162300 
          0.56250000       0.62500000       0.47981967 
          0.68750000       0.62500000       0.52018033 
          0.56250000       0.62500000       0.64126234 
          0.68750000       0.62500000       0.35873766 
          0.56250000       0.62500000       0.80270501 
          0.68750000       0.62500000       0.19729499 
          0.56250000       0.75000000       0.27801633 
          0.68750000       0.75000000       0.72198367 
          0.56250000       0.75000000       0.43945900 
          0.68750000       0.75000000       0.56054100 
          0.56250000       0.75000000       0.60090167 
          0.68750000       0.75000000       0.39909833 
          0.56250000       0.75000000       0.76234434 
          0.68750000       0.75000000       0.23765566 
          0.56250000       0.87500000       0.31837700 
          0.68750000       0.87500000       0.68162300 
          0.56250000       0.87500000       0.47981967 
          0.68750000       0.87500000       0.52018033 
          0.56250000       0.87500000       0.64126234 
          0.68750000       0.87500000       0.35873766 
          0.56250000       0.87500000       0.80270501 
          0.68750000       0.87500000       0.19729499 
          0.81250000       0.00000000       0.27801633 
          0.93750000       0.00000000       0.72198367 
          0.81250000       0.00000000       0.43945900 
          0.93750000       0.00000000       0.56054100 
          0.81250000       0.00000000       0.60090167 
          0.93750000       0.00000000       0.39909833 
          0.81250000       0.00000000       0.76234434 
          0.93750000       0.00000000       0.23765566 
          0.81250000       0.12500000       0.31837700 
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