vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 08 31 
  21:06:49 
 
 
  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
 
 
  
   
    
            9.98535321       0.00000000       0.00000000 
            0.00000000       9.77412222       0.00000000 
            0.00000000       0.00000000       9.79402123 
    
        955.87749794 
    
            0.10014668       0.00000000       0.00000000 
            0.00000000       0.10231098       0.00000000 
            0.00000000       0.00000000       0.10210311 
    
   
   
           0.52634812       0.63741949       0.53550173 
           0.64767901       0.87572420       0.28608588 
           0.53033574       0.46520056       0.55297385 
           0.49136918       0.55186804       0.27609350 
           0.37177686       0.68443332       0.57374106 
           0.59956297       0.77197851       0.31165540 
           0.64438365       0.76686204       0.61858435 
           0.55963271       0.64873871       0.35350188 
           0.32616353       0.79769977       0.49888105 
           0.63637293       0.87712586       0.59085900 
           0.40214756       0.86049575       0.44894393 
           0.65676428       0.64868594       0.05786523 
           0.62736141       0.76027054       0.73011227 
           0.74956313       0.73654234       0.59318395 
           0.64822077       0.66577463       0.98407354 
           0.81402251       0.46173166       0.35702836 
           0.86824871       0.41000367       0.34789491 
           0.60937877       0.45762791       0.61335944 
           0.22479785       0.82824640       0.51981852 
           0.07701242       0.60715158       0.64204181 
           0.05094095       0.64040449       0.58006065 
           0.47628775       0.47577975       0.33932580 
   
  
  
           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 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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
       40
       -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  
   
   
        60
        -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
   
  
  
       50
       48
       48
      100
       96
       96
    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
  
  
        4
        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
        26.06938631
         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
         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                   
   
  
 
 
  
   
           9.98535321       0.00000000       0.00000000 
           0.00000000       9.77412222       0.00000000 
           0.00000000       0.00000000       9.79402123 
   
       955.87749794 
   
           0.10014668       0.00000000       0.00000000 
           0.00000000       0.10231098       0.00000000 
           0.00000000       0.00000000       0.10210311 
   
  
  
          0.52634812       0.63741949       0.53550173 
          0.64767901       0.87572420       0.28608588 
          0.53033574       0.46520056       0.55297385 
          0.49136918       0.55186804       0.27609350 
          0.37177686       0.68443332       0.57374106 
          0.59956297       0.77197851       0.31165540 
          0.64438365       0.76686204       0.61858435 
          0.55963271       0.64873871       0.35350188 
          0.32616353       0.79769977       0.49888105 
          0.63637293       0.87712586       0.59085900 
          0.40214756       0.86049575       0.44894393 
          0.65676428       0.64868594       0.05786523 
          0.62736141       0.76027054       0.73011227 
          0.74956313       0.73654234       0.59318395 
          0.64822077       0.66577463       0.98407354 
          0.81402251       0.46173166       0.35702836 
          0.86824871       0.41000367       0.34789491 
          0.60937877       0.45762791       0.61335944 
          0.22479785       0.82824640       0.51981852 
          0.07701242       0.60715158       0.64204181 
          0.05094095       0.64040449       0.58006065 
          0.47628775       0.47577975       0.33932580 
  
 
 
  
       2.39    2.57
       2.48    2.66
   
         12.81286765 
       1394.79996616 
      -3409.42246391 
        182.65110788 
       1936.15224937 
      -1928.14668463 
         -0.01790674 
       -345.71576644 
       2582.84965050 
        425.96301984 
        425.98092657 
        425.96898875 
   
  
  
       5.92    5.93
       5.92    5.93
   
        -13.15616945 
        -13.13687692 
        -13.14973861 
   
  
  
       5.06    5.07
       5.06    5.07
   
       -119.29564344 
       -119.25047362 
       -119.28058683 
   
  
  
       5.33    5.33
       5.33    5.33
   
       -123.45153704 
       -123.39512502 
       -123.43273303 
   
  
  
       5.42    5.46
       5.46    5.49
   
       -123.52732509 
       -123.47090662 
       -123.50851893 
   
  
  
       4.91    4.92
       5.03    5.04
   
       -114.00204449 
       -113.94562642 
       -113.98323847 
   
  
  
       5.54    5.56
       5.66    5.68
   
       -112.49355348 
       -112.43713886 
       -112.47474861 
   
  
  
       5.45    5.46
       5.58    5.59
   
       -112.15140859 
       -112.09499230 
       -112.13260316 
   
  
  
       5.11    5.11
       5.23    5.24
   
       -112.12022337 
       -112.06380731 
       -112.10141802 
   
  
  
       5.15    5.16
       5.28    5.29
   
       -112.11645313 
       -112.06003677 
       -112.09764768