vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 01:51:59) gamma-only                       parallel 
  Lin64 
  2021 06 24 
  21:59:52 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      262.47200000
        1.11000000      0.99000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06341919       0.13110607       0.59823497 
          0.18750000       0.12500000       0.40231476 
          0.06250000       0.12500000       0.33652071 
          0.18589973       0.11781415       0.66610947 
          0.06257070       0.00002546       0.53567241 
          0.18750000       0.00000000       0.46734737 
          0.06250000       0.00000000       0.27067790 
          0.14758438       0.00004795       0.73437779 
          0.06058207       0.37524390       0.60327786 
          0.18750000       0.37500000       0.40231476 
          0.06250000       0.37500000       0.33652071 
          0.19181054       0.37357350       0.66400794 
          0.06264534       0.25426238       0.53254864 
          0.18750000       0.25000000       0.46734737 
          0.06250000       0.25000000       0.27067790 
          0.25645790       0.24508892       0.69908396 
          0.06059515       0.62477601       0.60325732 
          0.18750000       0.62500000       0.40231476 
          0.06250000       0.62500000       0.33652071 
          0.19185832       0.62656081       0.66395046 
          0.06222513       0.50000463       0.53606965 
          0.18750000       0.50000000       0.46734737 
          0.06250000       0.50000000       0.27067790 
          0.26147905       0.50007636       0.69747772 
          0.06342469       0.86889963       0.59821693 
          0.18750000       0.87500000       0.40231476 
          0.06250000       0.87500000       0.33652071 
          0.18590830       0.88229144       0.66607904 
          0.06265914       0.74577434       0.53253303 
          0.18750000       0.75000000       0.46734737 
          0.06250000       0.75000000       0.27067790 
          0.25642923       0.75505021       0.69908686 
          0.31298786       0.11847732       0.59901053 
          0.43750000       0.12500000       0.40231476 
          0.31250000       0.12500000       0.33652071 
          0.43748889       0.13043589       0.66485518 
          0.31222565       0.99996675       0.52950406 
          0.43750000       0.00000000       0.46734737 
          0.31250000       0.00000000       0.27067790 
          0.50174542       0.00000698       0.69927655 
          0.31552297       0.37368189       0.59289840 
          0.43750000       0.37500000       0.40231476 
          0.31250000       0.37500000       0.33652071 
          0.43117256       0.37392967       0.66706969 
          0.31233846       0.24480590       0.53266433 
          0.43750000       0.25000000       0.46734737 
          0.31250000       0.25000000       0.27067790 
          0.40133988       0.24972954       0.73207507 
          0.31555716       0.62623319       0.59285800 
          0.43750000       0.62500000       0.40231476 
          0.31250000       0.62500000       0.33652071 
          0.43117578       0.62603840       0.66704743 
          0.31285962       0.49996231       0.53003403 
          0.43750000       0.50000000       0.46734737 
          0.31250000       0.50000000       0.27067790 
          0.40518645       0.50001700       0.73009965 
          0.31299852       0.88142724       0.59900711 
          0.43750000       0.87500000       0.40231476 
          0.31250000       0.87500000       0.33652071 
          0.43747321       0.86951881       0.66486376 
          0.31234526       0.75512108       0.53264944 
          0.43750000       0.75000000       0.46734737 
          0.31250000       0.75000000       0.27067790 
          0.40133787       0.75024662       0.73206988 
          0.56338276       0.13130635       0.59811980 
          0.68750000       0.12500000       0.40231476 
          0.56250000       0.12500000       0.33652071 
          0.68621245       0.11810519       0.66575664 
          0.56254688       0.00003159       0.53566157 
          0.68750000       0.00000000       0.46734737 
          0.56250000       0.00000000       0.27067790 
          0.64736552       0.00009006       0.73344058 
          0.56062373       0.37524796       0.60338365 
          0.68750000       0.37500000       0.40231476 
          0.56250000       0.37500000       0.33652071 
          0.69189113       0.37335383       0.66410692 
          0.56263277       0.25450293       0.53249197 
          0.68750000       0.25000000       0.46734737 
          0.56250000       0.25000000       0.27067790 
          0.75708848       0.24509189       0.69919429 
          0.56058208       0.62477812       0.60334611 
          0.68750000       0.62500000       0.40231476 
          0.56250000       0.62500000       0.33652071 
          0.69187058       0.62684530       0.66407000 
          0.56226385       0.49999152       0.53615489 
          0.68750000       0.50000000       0.46734737 
          0.56250000       0.50000000       0.27067790 
          0.76131823       0.50011214       0.69714631 
          0.56335347       0.86875389       0.59809874 
          0.68750000       0.87500000       0.40231476 
          0.56250000       0.87500000       0.33652071 
          0.68616342       0.88217362       0.66568509 
          0.56263331       0.74555034       0.53247129 
          0.68750000       0.75000000       0.46734737 
          0.56250000       0.75000000       0.27067790 
          0.75698244       0.75517217       0.69908224 
          0.81327468       0.11851119       0.59879607 
          0.93750000       0.12500000       0.40231476 
          0.81250000       0.12500000       0.33652071 
          0.93753603       0.13022839       0.66491614 
          0.81226435       0.00000244       0.52939925 
          0.93750000       0.00000000       0.46734737 
          0.81250000       0.00000000       0.27067790 
          0.00194076       0.00006750       0.69973978 
          0.81565733       0.37372979       0.59298542 
          0.93750000       0.37500000       0.40231476 
          0.81250000       0.37500000       0.33652071 
          0.93131746       0.37384421       0.66717478 
          0.81237544       0.24494880       0.53264132 
          0.93750000       0.25000000       0.46734737 
          0.81250000       0.25000000       0.27067790 
          0.90197367       0.24955134       0.73226828 
          0.81567201       0.62621458       0.59297308 
          0.93750000       0.62500000       0.40231476 
          0.81250000       0.62500000       0.33652071 
          0.93135788       0.62615038       0.66714155 
          0.81286655       0.49997001       0.53008119 
          0.93750000       0.50000000       0.46734737 
          0.81250000       0.50000000       0.27067790 
          0.90484584       0.50004828       0.73000805 
          0.81325235       0.88145589       0.59875702 
          0.93750000       0.87500000       0.40231476 
          0.81250000       0.87500000       0.33652071 
          0.93752501       0.86990373       0.66485211 
          0.81236889       0.75499623       0.53263300 
          0.93750000       0.75000000       0.46734737 
          0.81250000       0.75000000       0.27067790 
          0.90188195       0.75055043       0.73212581 
          0.81190641       0.63417548       0.94836770 
          0.81371218       0.75409206       0.99175297 
          0.92230464       0.56533372       0.97088428 
          0.73493942       0.58503964       0.97228554 
          0.80991785       0.64730199       0.87762321 
  
 
 
          1 
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        129 
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        132 
        133 
 
 
  
          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 
  
 
 
  
   No title
    F  
  
  
   normal
       262.47200000
       400.00000000
         0.00001000
       38
       10
      336
       -1
       -1
       532.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        262.47200000
    
      T  
      F  
           0.00000000
           0.00000001
           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
   
  
  
       64
       64
       84
      128
      128
      168
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.99000000      0.32000000
      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     35.45300000      1.00000000
         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  
    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
        22.20738322
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         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
    Cl   2
    Cl   2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06341919       0.13110607       0.59823497 
          0.18750000       0.12500000       0.40231476 
          0.06250000       0.12500000       0.33652071 
          0.18589973       0.11781415       0.66610947 
          0.06257070       0.00002546       0.53567241 
          0.18750000       0.00000000       0.46734737 
          0.06250000       0.00000000       0.27067790 
          0.14758438       0.00004795       0.73437779 
          0.06058207       0.37524390       0.60327786 
          0.18750000       0.37500000       0.40231476 
          0.06250000       0.37500000       0.33652071 
          0.19181054       0.37357350       0.66400794 
          0.06264534       0.25426238       0.53254864 
          0.18750000       0.25000000       0.46734737 
          0.06250000       0.25000000       0.27067790 
          0.25645790       0.24508892       0.69908396 
          0.06059515       0.62477601       0.60325732 
          0.18750000       0.62500000       0.40231476 
          0.06250000       0.62500000       0.33652071 
          0.19185832       0.62656081       0.66395046 
          0.06222513       0.50000463       0.53606965 
          0.18750000       0.50000000       0.46734737 
          0.06250000       0.50000000       0.27067790 
          0.26147905       0.50007636       0.69747772 
          0.06342469       0.86889963       0.59821693 
          0.18750000       0.87500000       0.40231476 
          0.06250000       0.87500000       0.33652071 
          0.18590830       0.88229144       0.66607904 
          0.06265914       0.74577434       0.53253303 
          0.18750000       0.75000000       0.46734737 
          0.06250000       0.75000000       0.27067790 
          0.25642923       0.75505021       0.69908686 
          0.31298786       0.11847732       0.59901053 
          0.43750000       0.12500000       0.40231476 
          0.31250000       0.12500000       0.33652071 
          0.43748889       0.13043589       0.66485518 
          0.31222565       0.99996675       0.52950406 
          0.43750000       0.00000000       0.46734737 
          0.31250000       0.00000000       0.27067790 
          0.50174542       0.00000698       0.69927655 
          0.31552297       0.37368189       0.59289840 
          0.43750000       0.37500000       0.40231476 
          0.31250000       0.37500000       0.33652071 
          0.43117256       0.37392967       0.66706969 
          0.31233846       0.24480590       0.53266433 
          0.43750000       0.25000000       0.46734737 
          0.31250000       0.25000000       0.27067790 
          0.40133988       0.24972954       0.73207507 
          0.31555716       0.62623319       0.59285800 
          0.43750000       0.62500000       0.40231476 
          0.31250000       0.62500000       0.33652071 
          0.43117578       0.62603840       0.66704743 
          0.31285962       0.49996231       0.53003403 
          0.43750000       0.50000000       0.46734737 
          0.31250000       0.50000000       0.27067790 
          0.40518645       0.50001700       0.73009965 
          0.31299852       0.88142724       0.59900711 
          0.43750000       0.87500000       0.40231476 
          0.31250000       0.87500000       0.33652071 
          0.43747321       0.86951881       0.66486376 
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          0.69189113       0.37335383       0.66410692 
          0.56263277       0.25450293       0.53249197 
          0.68750000       0.25000000       0.46734737 
          0.56250000       0.25000000       0.27067790 
          0.75708848       0.24509189       0.69919429 
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          0.68750000       0.62500000       0.40231476 
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          0.56226385       0.49999152       0.53615489 
          0.68750000       0.50000000       0.46734737 
          0.56250000       0.50000000       0.27067790 
          0.76131823       0.50011214       0.69714631 
          0.56335347       0.86875389       0.59809874 
          0.68750000       0.87500000       0.40231476 
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          0.68750000       0.75000000       0.46734737 
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          0.75698244       0.75517217       0.69908224 
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          0.93750000       0.00000000       0.46734737 
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          0.93131746       0.37384421       0.66717478 
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          0.93750000       0.25000000       0.46734737 
          0.81250000       0.25000000       0.27067790 
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          0.81567201       0.62621458       0.59297308 
          0.93750000       0.62500000       0.40231476 
          0.81250000       0.62500000       0.33652071 
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          0.93750000       0.50000000       0.46734737 
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          0.93750000       0.87500000       0.40231476 
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          0.81236889       0.75499623       0.53263300 
          0.93750000       0.75000000       0.46734737 
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          0.90188195       0.75055043       0.73212581 
          0.81190641       0.63417548       0.94836770 
          0.81371218       0.75409206       0.99175297 
          0.92230464       0.56533372       0.97088428 
          0.73493942       0.58503964       0.97228554 
          0.80991785       0.64730199       0.87762321 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      10.27   10.27
      10.92   10.93
   
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