vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  21:08:22 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.99111119       0.50166326       0.88439672 
           0.82814236       0.71552198       0.64308938 
           0.70568173       0.39367081       0.38638723 
           0.60892369       0.65637295       0.69878547 
           0.51905396       0.74309547       0.80351520 
           0.82179440       0.31075346       0.97501033 
           0.73178301       0.21557980       0.18188653 
           0.23635954       0.60225198       0.17458973 
           0.91436869       0.88815574       0.84794608 
           0.16992059       0.39851740       0.68172548 
           0.89392342       0.96417014       0.99608345 
           0.04077147       0.63682688       0.76378491 
           0.71964828       0.94120705       0.14339370 
           0.23039803       0.67320494       0.37819565 
           0.09923805       0.41533859       0.98453848 
           0.14244560       0.76547614       0.91156316 
           0.97739427       0.30181135       0.11745314 
           0.82327813       0.93501826       0.08538682 
           0.71511966       0.09142077       0.01526143 
           0.18942947       0.47013331       0.67060613 
           0.48197483       0.63176916       0.32438873 
           0.25053447       0.98270560       0.74792307 
           0.01735595       0.17255686       0.13555726 
           0.01638573       0.98001165       0.74733782 
           0.22749870       0.88511143       0.33490276 
           0.36434125       0.61228257       0.82583750 
           0.69639346       0.07966026       0.08357887 
           0.71277793       0.46080426       0.03326283 
           0.49661479       0.49068222       0.22888985 
           0.09477973       0.07289937       0.15428995 
           0.42883521       0.30209003       0.62796612 
           0.07807953       0.45477818       0.86494496 
           0.43136988       0.36320128       0.76327822 
           0.80562538       0.86857737       0.18414492 
           0.38463908       0.44686904       0.07518522 
   
  
  
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          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        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
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.73000000      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     16.00000000      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  
        -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
        27.99362752
         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
      200
        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  
  
 
 
        35 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.99111119       0.50166326       0.88439672 
          0.82814236       0.71552198       0.64308938 
          0.70568173       0.39367081       0.38638723 
          0.60892369       0.65637295       0.69878547 
          0.51905396       0.74309547       0.80351520 
          0.82179440       0.31075346       0.97501033 
          0.73178301       0.21557980       0.18188653 
          0.23635954       0.60225198       0.17458973 
          0.91436869       0.88815574       0.84794608 
          0.16992059       0.39851740       0.68172548 
          0.89392342       0.96417014       0.99608345 
          0.04077147       0.63682688       0.76378491 
          0.71964828       0.94120705       0.14339370 
          0.23039803       0.67320494       0.37819565 
          0.09923805       0.41533859       0.98453848 
          0.14244560       0.76547614       0.91156316 
          0.97739427       0.30181135       0.11745314 
          0.82327813       0.93501826       0.08538682 
          0.71511966       0.09142077       0.01526143 
          0.18942947       0.47013331       0.67060613 
          0.48197483       0.63176916       0.32438873 
          0.25053447       0.98270560       0.74792307 
          0.01735595       0.17255686       0.13555726 
          0.01638573       0.98001165       0.74733782 
          0.22749870       0.88511143       0.33490276 
          0.36434125       0.61228257       0.82583750 
          0.69639346       0.07966026       0.08357887 
          0.71277793       0.46080426       0.03326283 
          0.49661479       0.49068222       0.22888985 
          0.09477973       0.07289937       0.15428995 
          0.42883521       0.30209003       0.62796612 
          0.07807953       0.45477818       0.86494496 
          0.43136988       0.36320128       0.76327822 
          0.80562538       0.86857737       0.18414492 
          0.38463908       0.44686904       0.07518522 
  
 
 
  
      11.14   11.26
      11.60   11.71
   
         24.76344702 
       -768.63122539 
      -2263.50993100 
       -287.26846306 
       3170.77583059 
      -2609.60722799 
          0.00726837 
       -195.43882849 
       3755.32434067 
        826.41521073 
        826.40794236 
        826.41278794 
   
  
  
      14.67   14.81
      14.67   14.81
   
        188.70642602 
        188.69826730 
        188.70370645 
   
  
  
      16.70   16.82
      16.71   16.82
   
         84.34203256 
         84.36354843 
         84.34920452 
   
  
  
      16.25   16.37
      16.25   16.38
   
         77.37014933 
         77.36571164 
         77.36867010 
   
  
  
      16.72   16.82
      16.90   17.01
   
         77.02579949 
         77.01946156 
         77.02368685 
   
  
  
      16.27   16.38
      16.89   17.01
   
        117.12226191 
        117.16487271 
        117.13646551 
   
  
  
      16.52   16.64
      17.14   17.27
   
         66.43962836 
         66.44899794 
         66.44275155 
   
  
  
      16.89   16.99
      17.51   17.62
   
        112.89945817 
        112.91677063 
        112.90522899 
   
  
  
      15.45   15.56
      16.07   16.19
   
        120.23002991 
        120.15695149 
        120.20567044 
   
  
  
      13.51   13.62
      14.13   14.25
   
        121.14761667 
        121.22641073 
        121.17388136 
   
  
  
      15.50   15.60
      16.12   16.23
   
        120.87081204 
        120.91621002 
        120.88594470 
   
  
  
      15.67   15.78
      16.31   16.42
   
        121.18495275 
        121.09471973 
        121.15487507 
   
  
  
      15.46   15.56
      16.08   16.19
   
        121.77438417 
        121.76528568 
        121.77135134 
   
  
  
      15.77   15.87
      16.40   16.50
   
        121.94170404 
        121.99078659 
        121.95806489 
   
  
  
      14.67   14.79
      15.31   15.44
   
        121.96649691 
        121.99284149 
        121.97527844