vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:40 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.98351725       0.45602349       0.02909437 
           0.99911170       0.54315116       0.43770112 
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           0.23401770       0.22632453       0.29716276 
           0.98401770       0.29924189       0.04276530 
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           0.98401770       0.37574602       0.41637775 
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           0.98401770       0.29924189       0.54276530 
           0.23401770       0.29924189       0.66654562 
           0.98401770       0.37574602       0.91637775 
           0.23401770       0.37574602       0.79293317 
           0.48468054       0.45256318       0.04515338 
           0.50505266       0.52453130       0.41870544 
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           0.77195745       0.50904827       0.32028671 
           0.48401770       0.22632453       0.41214816 
           0.73401770       0.22632453       0.29716276 
           0.48401770       0.29924189       0.04276530 
           0.73401770       0.29924189       0.16654562 
           0.48401770       0.37574602       0.41637775 
           0.73401770       0.37574602       0.29293317 
           0.47908378       0.44932053       0.54850424 
           0.47698737       0.52906536       0.92841457 
           0.73666012       0.45266660       0.66671731 
           0.73880514       0.51849722       0.82165300 
           0.48401770       0.22632453       0.91214816 
           0.73401770       0.22632453       0.79716276 
           0.73401770       0.29924189       0.66654562 
           0.48401770       0.37574602       0.91637775 
           0.73401770       0.37574602       0.79293317 
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           0.61479067       0.61590398       0.60617091 
           0.23045076       0.58112500       0.71573548 
           0.51731951       0.58060597       0.49977768 
           0.46714542       0.66698086       0.66494415 
           0.58206303       0.79302232       0.83955437 
           0.53655097       0.69310724       0.73222091 
           0.44388666       0.69304242       0.58255888 
           0.24264820       0.66141642       0.86243604 
           0.78538505       0.63667142       0.55997025 
           0.10337701       0.67093822       0.66321583 
           0.67797254       0.57816406       0.71303994 
           0.69724948       0.81540026       0.84190211 
           0.59798424       0.75028127       0.88613760 
           0.53777898       0.78549366       0.74267902 
           0.47431981       0.81203095       0.89433058 
   
  
  
           1 
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          31 
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          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      123
       -1
       -1
       190.00000000
        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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      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
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
      126
       54
       80
      252
      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      0.77000000      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
  
  
        1
        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
        23.36961235
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        54 
         4 
  
   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
    O    2
    O    2
    C    3
    C    3
    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
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.98351725       0.45602349       0.02909437 
          0.99911170       0.54315116       0.43770112 
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          0.23401770       0.37574602       0.29293317 
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          0.98027122       0.54284606       0.94399852 
          0.22682483       0.45364236       0.67279925 
          0.21853831       0.52830844       0.80799797 
          0.23401770       0.22632453       0.79716276 
          0.98401770       0.29924189       0.54276530 
          0.23401770       0.29924189       0.66654562 
          0.98401770       0.37574602       0.91637775 
          0.23401770       0.37574602       0.79293317 
          0.48468054       0.45256318       0.04515338 
          0.50505266       0.52453130       0.41870544 
          0.74285127       0.44932916       0.16054842 
          0.77195745       0.50904827       0.32028671 
          0.48401770       0.22632453       0.41214816 
          0.73401770       0.22632453       0.29716276 
          0.48401770       0.29924189       0.04276530 
          0.73401770       0.29924189       0.16654562 
          0.48401770       0.37574602       0.41637775 
          0.73401770       0.37574602       0.29293317 
          0.47908378       0.44932053       0.54850424 
          0.47698737       0.52906536       0.92841457 
          0.73666012       0.45266660       0.66671731 
          0.73880514       0.51849722       0.82165300 
          0.48401770       0.22632453       0.91214816 
          0.73401770       0.22632453       0.79716276 
          0.73401770       0.29924189       0.66654562 
          0.48401770       0.37574602       0.91637775 
          0.73401770       0.37574602       0.79293317 
          0.25089620       0.64564668       0.73065248 
          0.61479067       0.61590398       0.60617091 
          0.23045076       0.58112500       0.71573548 
          0.51731951       0.58060597       0.49977768 
          0.46714542       0.66698086       0.66494415 
          0.58206303       0.79302232       0.83955437 
          0.53655097       0.69310724       0.73222091 
          0.44388666       0.69304242       0.58255888 
          0.24264820       0.66141642       0.86243604 
          0.78538505       0.63667142       0.55997025 
          0.10337701       0.67093822       0.66321583 
          0.67797254       0.57816406       0.71303994 
          0.69724948       0.81540026       0.84190211 
          0.59798424       0.75028127       0.88613760 
          0.53777898       0.78549366       0.74267902 
          0.47431981       0.81203095       0.89433058 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.84   12.98
      13.25   13.39
   
         40.50514279 
      16780.15599485 
     -21513.05324885 
       -275.43162555 
       4456.43530550 
      -3757.52896329 
          0.00142188 
       -246.17045256 
       5406.19701560 
        891.11059037 
        891.10916849 
        891.11011641 
   
  
  
      15.76   15.76
      15.76   15.76
   
       -146.21588122 
       -146.21746691 
       -146.21640978 
   
  
  
      16.03   16.03
      16.03   16.03
   
       -278.30563534 
       -278.34878772 
       -278.32001947 
   
  
  
      16.13   16.13
      16.13   16.13
   
       -283.63705873 
       -283.68492098 
       -283.65301281 
   
  
  
      16.79   16.78
      16.92   16.92
   
       -283.78706867 
       -283.83481525 
       -283.80298419 
   
  
  
      15.03   15.03
      15.56   15.56
   
       -271.04735898 
       -271.07275145 
       -271.05582314 
   
  
  
      14.80   14.80
      15.35   15.35
   
       -272.48486470 
       -272.47187207 
       -272.48053382 
   
  
  
      15.43   15.43
      15.97   15.97
   
       -269.67206181 
       -269.66129786 
       -269.66847382 
   
  
  
      17.02   17.02
      17.60   17.60
   
       -269.01090144 
       -269.01923365 
       -269.01367884 
   
  
  
      14.27   14.27
      14.80   14.80
   
       -269.02378102 
       -269.05536057 
       -269.03430754 
   
  
  
      15.89   15.88
      16.43   16.43
   
       -268.95146910 
       -268.97285365 
       -268.95859728 
   
  
  
      14.27   14.26
      14.79   14.79
   
       -268.96550466 
       -268.98866895 
       -268.97322609 
   
  
  
      16.14   16.13
      16.68   16.68
   
       -268.95695876 
       -268.97727495 
       -268.96373082