vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 08 
  12:57:56 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      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 
    
   
   
           0.51209894       0.46568502       0.52659805 
           0.51011099       0.69317133       0.52783874 
           0.51456779       0.36360290       0.52606963 
           0.40781565       0.50394853       0.52711911 
           0.56362621       0.50633107       0.61635338 
           0.56276315       0.50739758       0.43646350 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
  
 
 
  
          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
       12
       -1
       -1
         9.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
           0.00000021
           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      0.32000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000      1.00000000
         0.00000000      0.00000000
         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
       100.00000000
         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  
  
 
 
         6 
         2 
  
   ion
   element
   atomtype
   
    C    1
    H    2
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       5H       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 
   
  
  
          0.51209894       0.46568502       0.52659805 
          0.51011099       0.69317133       0.52783874 
          0.51456779       0.36360290       0.52606963 
          0.40781565       0.50394853       0.52711911 
          0.56362621       0.50633107       0.61635338 
          0.56276315       0.50739758       0.43646350 
  
 
 
  
       2.94    3.06
       3.66    3.77
   
          0.29445765 
        147.31393698 
       -269.23040465 
         26.10147359 
        117.36544724 
       -117.96785702 
          0.00270054 
        -91.77899142 
        209.52038720 
         21.62115009 
         21.61844956 
         21.62024991 
   
  
  
       3.04    3.14
       3.04    3.14
   
        -16.38747820 
        -16.39038107 
        -16.38844583 
   
  
  
       3.44    3.54
       3.44    3.54
   
        -20.74098211 
        -20.74679471 
        -20.74291964 
   
  
  
       3.45    3.54
       3.45    3.54
   
        -20.85968328 
        -20.86548123 
        -20.86161593 
   
  
  
       3.02    3.13
       3.08    3.19
   
        -20.86092972 
        -20.86672766 
        -20.86286236 
   
  
  
       2.40    2.50
       3.07    3.18
   
         -6.48058941 
         -6.48638737 
         -6.48252207 
   
  
  
       2.73    2.83
       3.25    3.35
   
        -18.78545824 
        -18.79125627 
        -18.78739092 
   
  
  
       2.81    2.96
       3.31    3.49
   
        -21.69512298 
        -21.70092106 
        -21.69705568 
   
  
  
       2.57    2.76
       3.15    3.35
   
        -24.37284214 
        -24.37864027 
        -24.37477485 
   
  
  
       2.07    2.23
       2.62    2.79
   
        -24.66697341 
        -24.67277155 
        -24.66890613 
   
  
  
       2.23    2.54
       2.79    3.09
   
        -24.73027139 
        -24.73606951 
        -24.73220409 
   
  
  
       2.79    2.96
       3.31    3.49
   
        -24.82469102 
        -24.83048909 
        -24.82662371 
   
  
  
       2.74    2.94
       3.22    3.43
   
        -24.83662901 
        -24.84242708 
        -24.83856170 
   
  
  
       2.22    2.39
       2.74    2.91
   
        -24.85472543 
        -24.86052352 
        -24.85665812 
   
  
  
       2.61    2.78
       3.14    3.31
   
        -24.86176330 
        -24.86756140 
        -24.86369600 
   
  
  
       2.35    2.48
       2.89    3.02
   
        -24.86714471 
        -24.87294281 
        -24.86907741 
   
  
  
       2.65    2.77
       3.17    3.28
   
        -24.87025235 
        -24.87605045 
        -24.87218505 
   
  
  
       1.56    2.13
       2.14    2.70
   
        -24.87152312 
        -24.87732123 
        -24.87345582