vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 29 
  14:13:26 
 
 
  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 
    
   
   
           0.38561889       0.43002986       0.53090895 
           0.44346324       0.51943045       0.38374408 
           0.58479300       0.51557292       0.32398235 
           0.35521658       0.56998525       0.26918648 
           0.26268087       0.49199058       0.56732026 
           0.36976563       0.26178198       0.49931851 
           0.62024575       0.66609249       0.25740765 
           0.67071801       0.47733312       0.44880539 
           0.60143867       0.39919239       0.19932795 
           0.46447340       0.44350314       0.66796379 
           0.47930827       0.85730720       0.57220628 
           0.41066785       0.88585497       0.59766999 
   
  
  
           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 
   
  
  
          0.38561889       0.43002986       0.53090895 
          0.44346324       0.51943045       0.38374408 
          0.58479300       0.51557292       0.32398235 
          0.35521658       0.56998525       0.26918648 
          0.26268087       0.49199058       0.56732026 
          0.36976563       0.26178198       0.49931851 
          0.62024575       0.66609249       0.25740765 
          0.67071801       0.47733312       0.44880539 
          0.60143867       0.39919239       0.19932795 
          0.46447340       0.44350314       0.66796379 
          0.47930827       0.85730720       0.57220628 
          0.41066785       0.88585497       0.59766999 
  
 
 
  
       4.39    4.45
       4.45    4.51
   
         23.83307581 
       1485.09496986 
      -5845.40037561 
        304.10037161 
       4104.28886790 
      -4141.72589677 
         -0.00835193 
       -372.74759262 
       5082.48689363 
        639.92196188 
        639.93031381 
        639.92474586 
   
  
  
       5.26    5.26
       5.26    5.27
   
         45.58560429 
         45.58681960 
         45.58600940 
   
  
  
       4.42    4.42
       4.42    4.42
   
        -61.52345536 
        -61.48302470 
        -61.50997847 
   
  
  
       4.41    4.41
       4.41    4.41
   
        -63.30951599 
        -63.25321547 
        -63.29074915 
   
  
  
       4.63    4.64
       4.66    4.66
   
        -63.35294030 
        -63.29659056 
        -63.33415706 
   
  
  
       4.37    4.39
       4.45    4.47
   
        -60.49767569 
        -60.44136244 
        -60.47890461 
   
  
  
       4.57    4.57
       4.64    4.65
   
        -60.18009966 
        -60.12381454 
        -60.16133795 
   
  
  
       4.36    4.36
       4.43    4.44
   
        -60.13605390 
        -60.07978984 
        -60.11729921 
   
  
  
       4.29    4.29
       4.37    4.37
   
        -60.13896317 
        -60.08269946 
        -60.12020860 
   
  
  
       4.64    4.64
       4.72    4.72
   
        -60.13986783 
        -60.08360017 
        -60.12111195 
   
  
  
       4.64    4.65
       4.72    4.73
   
        -60.14015188 
        -60.08388480 
        -60.12139619 
   
  
  
       4.27    4.28
       4.35    4.36
   
        -60.14053272 
        -60.08426549 
        -60.12177698 
   
  
  
       4.07    4.07
       4.15    4.15
   
        -60.14080427 
        -60.08453693 
        -60.12204849 
   
  
  
       3.73    3.74
       3.81    3.82
   
        -60.14106201 
        -60.08479469 
        -60.12230624 
   
  
  
       3.51    3.52
       3.58    3.59
   
        -60.14122846 
        -60.08496117 
        -60.12247270 
   
  
  
       2.86    3.22
       2.97    3.39
   
        -60.14132169 
        -60.08505436 
        -60.12256591