vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 28 
  21:06:00 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1200.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.33238437       0.48284535       0.57573271 
           0.34292026       0.63613159       0.54814648 
           0.40484955       0.55032880       0.74365688 
           0.28786972       0.34786436       0.71301778 
           0.18534314       0.49633035       0.81816803 
           0.21651107       0.63331830       0.53520298 
           0.76769266       0.51335706       0.78304551 
           0.31611753       0.28132967       0.60621149 
           0.22379339       0.64394020       0.96567148 
           0.14115125       0.46787316       0.51515959 
           0.14254384       0.73319621       0.66105301 
           0.24505458       0.71366668       0.38636596 
           0.51538926       0.39271311       0.87777673 
           0.48672021       0.45346004       0.95176897 
           0.48613184       0.58485834       0.96390473 
           0.25632123       0.19574913       0.60670488 
           0.30566600       0.34506780       0.51221563 
           0.40877719       0.25127023       0.61792974 
           0.36568182       0.64338460       0.10931583 
           0.21993176       0.89167505       0.91768059 
           0.09715176       0.56144174       0.10572578 
           0.74897543       0.69928638       0.78039537 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       42
       -1
       -1
        57.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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
     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
           0.00000006
           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
   
  
  
       60
       50
       50
      120
      100
      100
    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      0.77000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        32.72727273
         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  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1200.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.33238437       0.48284535       0.57573271 
          0.34292026       0.63613159       0.54814648 
          0.40484955       0.55032880       0.74365688 
          0.28786972       0.34786436       0.71301778 
          0.18534314       0.49633035       0.81816803 
          0.21651107       0.63331830       0.53520298 
          0.76769266       0.51335706       0.78304551 
          0.31611753       0.28132967       0.60621149 
          0.22379339       0.64394020       0.96567148 
          0.14115125       0.46787316       0.51515959 
          0.14254384       0.73319621       0.66105301 
          0.24505458       0.71366668       0.38636596 
          0.51538926       0.39271311       0.87777673 
          0.48672021       0.45346004       0.95176897 
          0.48613184       0.58485834       0.96390473 
          0.25632123       0.19574913       0.60670488 
          0.30566600       0.34506780       0.51221563 
          0.40877719       0.25127023       0.61792974 
          0.36568182       0.64338460       0.10931583 
          0.21993176       0.89167505       0.91768059 
          0.09715176       0.56144174       0.10572578 
          0.74897543       0.69928638       0.78039537 
  
 
 
  
       1.77    1.79
       1.97    1.99
   
         10.20627656 
       1246.27882725 
      -3353.65334473 
        174.19748767 
       1936.15224937 
      -1928.14668463 
         -0.00601927 
       -284.37246793 
       2582.84965050 
        383.50597478 
        383.51199405 
        383.50798120 
   
  
  
       2.22    2.24
       2.22    2.24
   
         35.17639776 
         35.18720024 
         35.17999859 
   
  
  
       2.00    2.02
       2.01    2.02
   
        -71.86552931 
        -71.83064592 
        -71.85390151 
   
  
  
       1.93    1.95
       1.93    1.95
   
        -80.45391797 
        -80.40029065 
        -80.43604219 
   
  
  
       2.05    2.07
       2.09    2.11
   
        -80.74376335 
        -80.68909876 
        -80.72554182 
   
  
  
       1.63    1.65
       1.87    1.89
   
        -95.72097835 
        -95.70435325 
        -95.71543665 
   
  
  
       1.67    1.69
       1.91    1.93
   
        -72.01294729 
        -71.96038154 
        -71.99542538 
   
  
  
       1.73    1.75
       1.96    1.98
   
        -69.84195292 
        -69.78795832 
        -69.82395472 
   
  
  
       1.92    1.94
       2.14    2.17
   
        -70.39446785 
        -70.43981271 
        -70.40958281 
   
  
  
       1.63    1.66
       1.86    1.89
   
        -69.23979203 
        -69.17619684 
        -69.21859363 
   
  
  
       1.75    1.78
       1.97    2.00
   
        -69.13730717 
        -69.00981444 
        -69.09480959 
   
  
  
       1.89    1.91
       2.10    2.13
   
        -69.35505936 
        -69.25084764 
        -69.32032212 
   
  
  
       2.11    2.12
       2.33    2.34
   
        -69.09808567 
        -69.06399919 
        -69.08672351 
   
  
  
       1.57    1.59
       1.79    1.81
   
        -69.02386000 
        -68.89684109 
        -68.98152036 
   
  
  
       1.64    1.66
       1.86    1.88
   
        -69.03156438 
        -68.91495522 
        -68.99269466 
   
  
  
       2.00    2.04
       2.22    2.26
   
        -69.05203246 
        -68.88527556 
        -68.99644682 
   
  
  
       1.67    1.70
       1.89    1.92
   
        -69.02511311 
        -68.88738874 
        -68.97920499 
   
  
  
       1.61    1.63
       1.84    1.86
   
        -69.03491810 
        -68.90490277 
        -68.99157965 
   
  
  
       1.79    1.81
       2.03    2.05
   
        -69.03934218 
        -68.89529422 
        -68.99132620 
   
  
  
       1.70    1.71
       1.93    1.95
   
        -69.04271669 
        -68.90762532 
        -68.99768624 
   
  
  
       1.79    1.81
       2.02    2.05
   
        -69.04502181 
        -68.90742827 
        -68.99915730 
   
  
  
       1.82    1.83
       2.05    2.07
   
        -69.04668421 
        -68.91377505 
        -69.00238115 
   
  
  
       1.87    1.89
       2.11    2.13
   
        -69.04751271 
        -68.91220238 
        -69.00240926 
   
  
  
       1.63    1.66
       1.87    1.90
   
        -69.04794401 
        -68.91194349 
        -69.00261051