vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  00:32:09 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.38508147       0.42821100       0.53321927 
           0.44230746       0.52797299       0.39192179 
           0.58339679       0.51985213       0.32725923 
           0.35236470       0.57637574       0.27515759 
           0.26241392       0.48818570       0.57463526 
           0.36949206       0.26317035       0.49036918 
           0.61836548       0.66911126       0.25827341 
           0.67069236       0.48284108       0.45113775 
           0.59595425       0.40091296       0.20550595 
           0.46525483       0.43486447       0.66927306 
           0.47220519       0.82711177       0.56477942 
           0.43086163       0.89946490       0.57630977 
   
  
  
           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
       44
       -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
   
   
         2
     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 
   
  
  
          0.38508147       0.42821100       0.53321927 
          0.44230746       0.52797299       0.39192179 
          0.58339679       0.51985213       0.32725923 
          0.35236470       0.57637574       0.27515759 
          0.26241392       0.48818570       0.57463526 
          0.36949206       0.26317035       0.49036918 
          0.61836548       0.66911126       0.25827341 
          0.67069236       0.48284108       0.45113775 
          0.59595425       0.40091296       0.20550595 
          0.46525483       0.43486447       0.66927306 
          0.47220519       0.82711177       0.56477942 
          0.43086163       0.89946490       0.57630977 
  
 
 
  
      10.40   10.51
      10.54   10.65
   
         23.83307581 
       1498.85764895 
      -5859.15767633 
        306.47936883 
       4102.18079837 
      -4139.55860478 
          0.00086562 
       -427.14067578 
       5082.48689363 
        587.98169432 
        587.98082871 
        587.98140578 
   
  
  
      12.62   12.63
      12.62   12.63
   
         35.44345616 
         35.44018662 
         35.44236631 
   
  
  
      10.85   10.86
      10.85   10.86
   
        -51.87675856 
        -51.88362780 
        -51.87904831 
   
  
  
      11.20   11.21
      11.20   11.21
   
        -53.32053623 
        -53.32638279 
        -53.32248508 
   
  
  
      11.57   11.58
      11.61   11.62
   
        -53.35783912 
        -53.36368259 
        -53.35978695 
   
  
  
      12.56   12.57
      12.74   12.75
   
     -12788.14591507 
     -12788.12431420 
     -12788.13871478 
   
  
  
       9.99    9.99
      10.17   10.17
   
         -6.02133896 
         -5.99744221 
         -6.01337338 
   
  
  
      10.44   10.45
      10.61   10.62
   
        -43.82378056 
        -43.81465374 
        -43.82073828 
   
  
  
      11.03   11.04
      11.21   11.21
   
        -55.79047448 
        -55.79631517 
        -55.79242137 
   
  
  
      10.87   10.87
      11.04   11.04
   
        -57.40978963 
        -57.41562381 
        -57.41173435 
   
  
  
      10.66   10.67
      10.85   10.86
   
        -60.23093090 
        -60.23676121 
        -60.23287433 
   
  
  
      10.89   10.90
      11.06   11.07
   
        -60.99490176 
        -61.00073189 
        -60.99684514 
   
  
  
      11.81   11.82
      11.99   11.99
   
      -2644.20688354 
      -2644.19203342 
      -2644.20193350 
   
  
  
      10.64   10.65
      10.83   10.84
   
       -822.48249295 
       -822.45805305 
       -822.47434632 
   
  
  
       9.59    9.60
       9.77    9.78
   
        -51.71615867 
        -51.72198688 
        -51.71810141 
   
  
  
      10.39   10.40
      10.57   10.58
   
        -59.34386846 
        -59.34969566 
        -59.34581086 
   
  
  
      10.70   10.72
      10.87   10.89
   
        -60.90632471 
        -60.91215411 
        -60.90826784 
   
  
  
      10.88   10.88
      11.05   11.06
   
        -60.57214414 
        -60.57797415 
        -60.57408748 
   
  
  
      10.56   10.58
      10.74   10.76
   
        -60.51421979 
        -60.52005027 
        -60.51616328 
   
  
  
       8.27    8.27
       8.45    8.45
   
        -54.57724129 
        -54.58485645 
        -54.57977968 
   
  
  
       8.10    8.11
       8.27    8.28
   
        -59.93998095 
        -59.94581655 
        -59.94192615 
   
  
  
       5.99    6.05
       6.15    6.21
   
        -60.35996877 
        -60.36580166 
        -60.36191307 
   
  
  
       3.57    3.67
       3.73    3.83
   
        -60.15123267 
        -60.15706524 
        -60.15317686 
   
  
  
       3.69    3.70
       3.85    3.86
   
        -60.01203097 
        -60.01786305 
        -60.01397500 
   
  
  
       2.47    2.58
       2.63    2.74
   
        -56.80220015 
        -56.80803453 
        -56.80414494 
   
  
  
       1.70    1.71
       1.86    1.87
   
        -60.64983189 
        -60.65566264 
        -60.65177548 
   
  
  
       1.84    1.84
       2.00    2.00
   
        -60.71819418 
        -60.72402483 
        -60.72013773 
   
  
  
       1.99    2.00
       2.16    2.17
   
        -60.74016648 
        -60.74599726 
        -60.74211007 
   
  
  
       1.93    1.93
       2.09    2.10
   
        -60.67287596 
        -60.67870694 
        -60.67481962 
   
  
  
       1.89    1.90
       2.06    2.07
   
        -60.60845238 
        -60.61428371 
        -60.61039616 
   
  
  
       1.97    1.98
       2.14    2.15
   
        -60.58959262 
        -60.59542413 
        -60.59153645 
   
  
  
       2.01    2.02
       2.17    2.18
   
      -2533.64076569 
      -2533.62879066 
      -2533.63677402 
   
  
  
       1.97    1.97
       2.13    2.13
   
        -50.80515975 
        -50.79514559 
        -50.80182170 
   
  
  
       2.09    2.10
       2.25    2.26
   
        -53.36000557 
        -53.36583891 
        -53.36195002 
   
  
  
       2.13    2.14
       2.29    2.30
   
        -60.36302371 
        -60.36885700 
        -60.36496814