vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 30 
  16:40:29 
 
 
  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 
    
   
   
           0.38634759       0.43345562       0.54261776 
           0.44145258       0.57224474       0.42621867 
           0.57742164       0.53897576       0.34336252 
           0.34855065       0.60079487       0.30390730 
           0.26226177       0.47343051       0.59816047 
           0.37410902       0.28536055       0.45833412 
           0.61686362       0.67703267       0.25776866 
           0.67155918       0.50010740       0.45872066 
           0.57065546       0.41110185       0.23204251 
           0.46734860       0.40509283       0.67497522 
           0.45948916       0.73353489       0.49559681 
           0.47673629       0.86396052       0.51645184 
   
  
  
           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 
   
  
  
          0.38634759       0.43345562       0.54261776 
          0.44145258       0.57224474       0.42621867 
          0.57742164       0.53897576       0.34336252 
          0.34855065       0.60079487       0.30390730 
          0.26226177       0.47343051       0.59816047 
          0.37410902       0.28536055       0.45833412 
          0.61686362       0.67703267       0.25776866 
          0.67155918       0.50010740       0.45872066 
          0.57065546       0.41110185       0.23204251 
          0.46734860       0.40509283       0.67497522 
          0.45948916       0.73353489       0.49559681 
          0.47673629       0.86396052       0.51645184 
  
 
 
  
       3.59    3.68
       3.66    3.75
   
         23.83307581 
       1636.61709422 
      -5999.44138902 
        304.42095221 
       4104.28886790 
      -4141.72589677 
          0.01693020 
       -402.63619147 
       5082.48689363 
        607.86033672 
        607.84340652 
        607.85469332 
   
  
  
       5.25    5.26
       5.25    5.26
   
         37.11769818 
         37.13529610 
         37.12356415 
   
  
  
       4.42    4.44
       4.42    4.44
   
        -60.50677510 
        -60.45250960 
        -60.48868660 
   
  
  
       4.44    4.45
       4.44    4.45
   
        -62.16108960 
        -62.10646113 
        -62.14288011 
   
  
  
       4.69    4.69
       4.71    4.71
   
        -62.19791699 
        -62.14333635 
        -62.17972344 
   
  
  
       4.34    4.34
       4.41    4.42
   
        -59.68609804 
        -59.63218824 
        -59.66812810 
   
  
  
       4.59    4.60
       4.67    4.68
   
        -59.55591368 
        -59.50225968 
        -59.53802902 
   
  
  
       4.36    4.37
       4.44    4.44
   
        -59.55638718 
        -59.50287176 
        -59.53854871 
   
  
  
       4.35    4.36
       4.42    4.43
   
        -59.55862553 
        -59.50511709 
        -59.54078938 
   
  
  
       4.29    4.30
       4.37    4.38
   
        -59.55885851 
        -59.50532020 
        -59.54101241 
   
  
  
       4.65    4.66
       4.73    4.74
   
        -59.55912202 
        -59.50558018 
        -59.54127474 
   
  
  
       4.31    4.31
       4.38    4.39
   
        -59.55941082 
        -59.50586809 
        -59.54156324 
   
  
  
       3.52    3.53
       3.60    3.61
   
        -59.55959579 
        -59.50605243 
        -59.54174801 
   
  
  
       3.32    3.33
       3.40    3.41
   
        -59.55977342 
        -59.50622953 
        -59.54192546