vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 29 
  14:13:07 
 
 
  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 
    
   
   
           0.38563812       0.43326365       0.54184346 
           0.44132805       0.57406392       0.42840988 
           0.57713603       0.53844082       0.34336598 
           0.34927310       0.59997853       0.30319738 
           0.26156335       0.47521749       0.59639177 
           0.37280725       0.28395758       0.46244812 
           0.61555433       0.67794819       0.25874812 
           0.67147711       0.49851338       0.45825579 
           0.57302096       0.41228854       0.23104074 
           0.46723380       0.40768066       0.67454852 
           0.45344026       0.69523646       0.49960541 
           0.47991779       0.92148515       0.51998651 
   
  
  
           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 
   
  
  
          0.38563812       0.43326365       0.54184346 
          0.44132805       0.57406392       0.42840988 
          0.57713603       0.53844082       0.34336598 
          0.34927310       0.59997853       0.30319738 
          0.26156335       0.47521749       0.59639177 
          0.37280725       0.28395758       0.46244812 
          0.61555433       0.67794819       0.25874812 
          0.67147711       0.49851338       0.45825579 
          0.57302096       0.41228854       0.23104074 
          0.46723380       0.40768066       0.67454852 
          0.45344026       0.69523646       0.49960541 
          0.47991779       0.92148515       0.51998651 
  
 
 
  
       3.87    3.92
       3.94    3.99
   
         23.83307581 
       1644.86583678 
      -6004.99591898 
        304.47277260 
       4104.28886790 
      -4141.72589677 
         -0.00316104 
       -417.66384153 
       5082.48689363 
        595.55862841 
        595.56178944 
        595.55968209 
   
  
  
       5.08    5.09
       5.08    5.09
   
         34.45530143 
         34.47670806 
         34.46243698 
   
  
  
       4.26    4.26
       4.26    4.26
   
        -60.75615635 
        -60.70186586 
        -60.73805952 
   
  
  
       4.24    4.24
       4.24    4.24
   
        -62.28884387 
        -62.23418403 
        -62.27062392 
   
  
  
       4.56    4.56
       4.58    4.58
   
        -62.32745832 
        -62.27272242 
        -62.30921302 
   
  
  
       4.24    4.24
       4.31    4.32
   
        -59.56433618 
        -59.51017590 
        -59.54628275 
   
  
  
       4.43    4.44
       4.51    4.51
   
        -59.40843927 
        -59.35441389 
        -59.39043081 
   
  
  
       4.24    4.24
       4.31    4.31
   
        -59.40647811 
        -59.35250749 
        -59.38848791 
   
  
  
       4.25    4.26
       4.32    4.33
   
        -59.40818891 
        -59.35422433 
        -59.39020072 
   
  
  
       4.50    4.51
       4.58    4.58
   
        -59.40851551 
        -59.35453330 
        -59.39052144 
   
  
  
       4.23    4.24
       4.31    4.31
   
        -59.40900461 
        -59.35502394 
        -59.39101105 
   
  
  
       4.19    4.19
       4.27    4.27
   
        -59.40950716 
        -59.35552541 
        -59.39151324 
   
  
  
       3.85    3.85
       3.92    3.92
   
        -59.40991378 
        -59.35593227 
        -59.39191994 
   
  
  
       3.77    3.78
       3.84    3.85
   
        -59.41014389 
        -59.35616287 
        -59.39215022 
   
  
  
       3.27    3.30
       3.52    3.55
   
        -59.41023250 
        -59.35625131 
        -59.39223877