vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 28 
  22:04:17 
 
 
  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 
    
   
   
           0.38064239       0.30915707       0.44394931 
           0.50677049       0.38681146       0.51175978 
           0.63520329       0.38812660       0.42172908 
           0.72757073       0.45109515       0.49770170 
           0.69094442       0.26760559       0.38014233 
           0.60804594       0.46047878       0.31210676 
           0.39866508       0.17474265       0.40786431 
           0.28243461       0.31270271       0.53567460 
           0.53759105       0.30679817       0.62123731 
           0.34657197       0.37607290       0.33399910 
           0.47289813       0.53596814       0.52875687 
           0.50734176       0.80887727       0.46616060 
   
  
  
           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 
   
  
  
          0.38064239       0.30915707       0.44394931 
          0.50677049       0.38681146       0.51175978 
          0.63520329       0.38812660       0.42172908 
          0.72757073       0.45109515       0.49770170 
          0.69094442       0.26760559       0.38014233 
          0.60804594       0.46047878       0.31210676 
          0.39866508       0.17474265       0.40786431 
          0.28243461       0.31270271       0.53567460 
          0.53759105       0.30679817       0.62123731 
          0.34657197       0.37607290       0.33399910 
          0.47289813       0.53596814       0.52875687 
          0.50734176       0.80887727       0.46616060 
  
 
 
  
       3.98    4.11
       4.10    4.24
   
         15.25316852 
       2450.01636019 
      -6784.04026646 
        303.48026260 
       4104.28886790 
      -4141.72589677 
         -0.00500602 
       -378.66045015 
       5082.48689363 
        651.09393345 
        651.09893948 
        651.09560213 
   
  
  
       5.37    5.39
       5.37    5.39
   
         92.21465313 
         92.22775475 
         92.21902033 
   
  
  
       4.57    4.59
       4.57    4.59
   
        -55.70089824 
        -55.64489416 
        -55.68223021 
   
  
  
       4.40    4.41
       4.40    4.41
   
        -60.03940951 
        -59.98300264 
        -60.02060722 
   
  
  
       4.81    4.82
       4.84    4.85
   
        -60.11268639 
        -60.05628155 
        -60.09388478 
   
  
  
       4.29    4.30
       4.41    4.42
   
        -57.56749737 
        -57.51109050 
        -57.54869508 
   
  
  
       4.20    4.21
       4.32    4.33
   
        -57.47055661 
        -57.41414817 
        -57.45175379 
   
  
  
       4.28    4.30
       4.41    4.43
   
        -57.47880395 
        -57.42239438 
        -57.46000076 
   
  
  
       4.35    4.39
       4.47    4.51
   
        -57.48033365 
        -57.42392361 
        -57.46153030 
   
  
  
       4.18    4.18
       4.31    4.32
   
        -57.48053399 
        -57.42412381 
        -57.46173060 
   
  
  
       4.31    4.34
       4.43    4.47
   
        -57.48110386 
        -57.42469361 
        -57.46230045 
   
  
  
       4.10    4.11
       4.21    4.22
   
        -57.48211438 
        -57.42570402 
        -57.46331093 
   
  
  
       4.17    4.19
       4.29    4.31
   
        -57.48330193 
        -57.42689146 
        -57.46449844 
   
  
  
       3.96    3.97
       4.08    4.08
   
        -57.48392960 
        -57.42751911 
        -57.46512611 
   
  
  
       3.30    3.31
       3.42    3.43
   
        -57.48430915 
        -57.42789866 
        -57.46550565 
   
  
  
       3.37    3.37
       3.49    3.49
   
        -57.48444546 
        -57.42803496 
        -57.46564196 
   
  
  
       3.30    3.30
       3.42    3.43
   
        -57.48454263 
        -57.42813214 
        -57.46573913 
   
  
  
       3.03    3.05
       3.16    3.18
   
        -57.48457712 
        -57.42816664 
        -57.46577363 
   
  
  
       3.06    3.08
       3.19    3.22
   
        -57.48458746 
        -57.42817697 
        -57.46578396 
   
  
  
       2.30    2.42
       2.41    2.53
   
         15.25316852 
       2450.01636019 
      -6849.63433590 
        308.17084904 
       5513.14195756 
      -5550.56061771 
         -0.05641049 
      -1026.30245656 
       5082.48689363 
        -57.48459172 
        -57.42818123 
        -57.46578823