vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 28 
  22:04:18 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.38178373       0.30883847       0.44424636 
           0.50389188       0.39478181       0.51332408 
           0.63423449       0.38755680       0.42223516 
           0.72809744       0.45038238       0.49756370 
           0.68774486       0.26787769       0.38032628 
           0.60789106       0.46208009       0.31283010 
           0.40142576       0.17607712       0.40791011 
           0.28198514       0.31109197       0.53499094 
           0.53744124       0.30710678       0.62252580 
           0.34598536       0.37634061       0.33409866 
           0.47524834       0.51356550       0.52902442 
           0.50895056       0.82273725       0.46200615 
   
  
  
           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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       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  
   
   
        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
       50
       50
      100
      100
      100
    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
        50.00000000
         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
       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  
  
 
 
        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      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.38178373       0.30883847       0.44424636 
          0.50389188       0.39478181       0.51332408 
          0.63423449       0.38755680       0.42223516 
          0.72809744       0.45038238       0.49756370 
          0.68774486       0.26787769       0.38032628 
          0.60789106       0.46208009       0.31283010 
          0.40142576       0.17607712       0.40791011 
          0.28198514       0.31109197       0.53499094 
          0.53744124       0.30710678       0.62252580 
          0.34598536       0.37634061       0.33409866 
          0.47524834       0.51356550       0.52902442 
          0.50895056       0.82273725       0.46200615 
  
 
 
  
       4.67    4.73
       4.78    4.84
   
         15.25316852 
       2463.32323231 
      -6796.94317839 
        303.56517691 
       4104.28886790 
      -4141.72589677 
         -0.01086235 
       -390.04151176 
       5082.48689363 
        640.19589000 
        640.20675235 
        640.19951078 
   
  
  
       5.29    5.30
       5.29    5.30
   
         87.24931457 
         87.26196908 
         87.25353274 
   
  
  
       4.44    4.45
       4.45    4.46
   
        -57.11267905 
        -57.05665646 
        -57.09400485 
   
  
  
       4.37    4.38
       4.37    4.38
   
        -61.12987872 
        -61.07346313 
        -61.11107352 
   
  
  
       4.72    4.74
       4.76    4.78
   
        -61.20283500 
        -61.14642081 
        -61.18403027 
   
  
  
       4.32    4.33
       4.45    4.46
   
        -58.54364144 
        -58.48722798 
        -58.52483695 
   
  
  
       4.20    4.21
       4.33    4.34
   
        -58.42057542 
        -58.36416165 
        -58.40177083 
   
  
  
       4.22    4.23
       4.34    4.35
   
        -58.41962739 
        -58.36321322 
        -58.40082267 
   
  
  
       4.19    4.20
       4.30    4.31
   
        -58.41993520 
        -58.36352085 
        -58.40113041 
   
  
  
       4.27    4.28
       4.39    4.40
   
        -58.41994939 
        -58.36353496 
        -58.40114458 
   
  
  
       4.17    4.18
       4.29    4.30
   
        -58.42058275 
        -58.36416827 
        -58.40177792 
   
  
  
       4.11    4.11
       4.23    4.24
   
        -58.42205203 
        -58.36563746 
        -58.40324717 
   
  
  
       4.25    4.26
       4.37    4.38
   
        -58.42305130 
        -58.36663670 
        -58.40424643 
   
  
  
       4.16    4.17
       4.28    4.29
   
        -58.42396512 
        -58.36755049 
        -58.40516024 
   
  
  
       3.39    3.39
       3.51    3.52
   
        -58.42423392 
        -58.36781929 
        -58.40542905 
   
  
  
       3.75    3.76
       3.87    3.89
   
        -58.42456563 
        -58.36815099 
        -58.40576075 
   
  
  
       3.37    3.40
       3.50    3.52
   
        -58.42464091 
        -58.36822628 
        -58.40583603 
   
  
  
       3.21    3.22
       3.34    3.36
   
        -58.42470630 
        -58.36829167 
        -58.40590142 
   
  
  
       2.70    2.88
       2.81    2.99
   
         15.25316852 
       2463.32323231 
      -6865.38645213 
        308.46261313 
       5511.54063696 
      -5548.95328416 
         -0.05641463 
      -1025.09510701 
       5082.48689363 
        -58.42471338 
        -58.36829875 
        -58.40590851