vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  21:43:15 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000       8.00000000       0.00000000 
            0.00000000       0.00000000       8.00000000 
    
        640.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.12500000       0.00000000 
            0.00000000       0.00000000       0.12500000 
    
   
   
           0.44052725       0.54468719       0.58773378 
           0.45476889       0.25031823       0.22713451 
           0.58238634       0.56215512       0.38418790 
           0.34735700       0.75277648       0.33577279 
           0.29269436       0.55322319       0.64345893 
           0.47418398       0.57772778       0.38426318 
           0.69608208       0.70633703       0.27278931 
           0.71938978       0.57835721       0.48560912 
           0.42624740       0.45946487       0.33698477 
           0.43799766       0.48951902       0.78316699 
           0.38738613       0.26763100       0.25531725 
           0.38936952       0.77587700       0.62142324 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
  
 
 
  
          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
       40
       -1
       -1
        63.00000000
        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
     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
   
  
  
       50
       40
       40
      100
       80
       80
    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
         0.77000000      0.72000000      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  
        12.01100000     18.99800000      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
        32.00000000
         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  
  
 
 
        12 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       7F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000       8.00000000       0.00000000 
           0.00000000       0.00000000       8.00000000 
   
       640.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.12500000       0.00000000 
           0.00000000       0.00000000       0.12500000 
   
  
  
          0.44052725       0.54468719       0.58773378 
          0.45476889       0.25031823       0.22713451 
          0.58238634       0.56215512       0.38418790 
          0.34735700       0.75277648       0.33577279 
          0.29269436       0.55322319       0.64345893 
          0.47418398       0.57772778       0.38426318 
          0.69608208       0.70633703       0.27278931 
          0.71938978       0.57835721       0.48560912 
          0.42624740       0.45946487       0.33698477 
          0.43799766       0.48951902       0.78316699 
          0.38738613       0.26763100       0.25531725 
          0.38936952       0.77587700       0.62142324 
  
 
 
  
       4.36    4.44
       4.44    4.51
   
         23.83307581 
       1318.17103659 
      -5684.89664165 
        302.27324255 
       4104.28886790 
      -4141.72589677 
          0.00810666 
       -376.76929178 
       5082.48689363 
        627.66939295 
        627.66128629 
        627.66669073 
   
  
  
       5.30    5.31
       5.30    5.31
   
         82.02474257 
         82.03762638 
         82.02903717 
   
  
  
       4.36    4.37
       4.36    4.37
   
        -22.75493194 
        -22.71811217 
        -22.74265868 
   
  
  
       4.20    4.21
       4.20    4.21
   
        -25.68116793 
        -25.63856807 
        -25.66696798 
   
  
  
       4.89    4.90
       4.91    4.92
   
        -25.77998390 
        -25.73793846 
        -25.76596875 
   
  
  
       4.69    4.70
       4.77    4.77
   
        -24.83720404 
        -24.80835189 
        -24.82758666 
   
  
  
       4.51    4.51
       4.58    4.59
   
        -15.35894514 
        -15.30350174 
        -15.34046401 
   
  
  
       4.35    4.35
       4.42    4.43
   
        -14.36199125 
        -14.32099374 
        -14.34832542 
   
  
  
       4.35    4.36
       4.42    4.43
   
        -16.86189670 
        -16.84961151 
        -16.85780164 
   
  
  
       4.71    4.71
       4.78    4.79
   
        -14.10534340 
        -14.07390347 
        -14.09486342 
   
  
  
       4.30    4.30
       4.37    4.38
   
        -13.98294864 
        -13.95279592 
        -13.97289773 
   
  
  
       4.34    4.35
       4.42    4.42
   
        -13.91221592 
        -13.83222200 
        -13.88555128 
   
  
  
       4.33    4.33
       4.40    4.41
   
        -13.90304888 
        -13.82292822 
        -13.87634199 
   
  
  
       4.14    4.14
       4.21    4.21
   
        -13.91153126 
        -13.83123722 
        -13.88476658 
   
  
  
       4.34    4.35
       4.41    4.42
   
        -13.91206102 
        -13.83551934 
        -13.88654713 
   
  
  
       4.39    4.39
       4.46    4.47
   
        -13.91632722 
        -13.84176786 
        -13.89147410 
   
  
  
       4.36    4.36
       4.44    4.44
   
        -13.91908994 
        -13.84308161 
        -13.89375383 
   
  
  
       4.58    4.58
       4.65    4.66
   
        -13.91974481 
        -13.84378251 
        -13.89442404 
   
  
  
       4.30    4.30
       4.37    4.38
   
        -13.92037601 
        -13.84418582 
        -13.89497928 
   
  
  
       3.97    4.03
       4.05    4.11
   
        -13.92074050 
        -13.84496019 
        -13.89548040 
   
  
  
       3.28    3.29
       3.35    3.37
   
        -13.92085686 
        -13.84472332 
        -13.89547901 
   
  
  
       3.22    3.22
       3.29    3.30
   
        -13.92095225 
        -13.84441986 
        -13.89544145 
   
  
  
       2.83    2.83
       2.91    2.92
   
        -13.92097494 
        -13.84453826 
        -13.89549605 
   
  
  
       2.70    2.73
       2.78    2.81
   
        -13.92100631 
        -13.84467006 
        -13.89556089 
   
  
  
       2.36    2.41
       2.45    2.49
   
        -13.92102792 
        -13.84470537 
        -13.89558707 
   
  
  
       2.36    2.41
       2.41    2.46
   
         23.83307581 
       1318.17103659 
      -5693.28897904 
        306.19600847 
       5401.52030538 
      -5438.90004853 
         -0.07631867 
      -1013.86301130 
       5082.48689363 
        -13.92103766 
        -13.84471899 
        -13.89559810