vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 08 
  12:57:55 
 
 
  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 
    
   
   
           0.51143036       0.54836784       0.52676389 
           0.51184935       0.64706343       0.52661028 
           0.51381815       0.29764160       0.52677240 
           0.41060675       0.51662345       0.52690803 
           0.56163416       0.51547650       0.61387641 
           0.56164400       0.51496368       0.43951140 
   
  
  
           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 
   
  
  
          0.51143036       0.54836784       0.52676389 
          0.51184935       0.64706343       0.52661028 
          0.51381815       0.29764160       0.52677240 
          0.41060675       0.51662345       0.52690803 
          0.56163416       0.51547650       0.61387641 
          0.56164400       0.51496368       0.43951140 
  
 
 
  
       1.83    2.27
       2.24    2.68
   
          0.29445765 
        154.93829319 
       -271.04389883 
         26.29140440 
        117.36544724 
       -117.96785702 
         -0.00448163 
        -95.43702756 
        209.52038720 
         23.95672463 
         23.96120626 
         23.95821851 
   
  
  
       3.08    3.17
       3.08    3.17
   
        -17.05553059 
        -17.06011077 
        -17.05705731 
   
  
  
       3.36    3.43
       3.36    3.43
   
        -21.12093406 
        -21.12674093 
        -21.12286968 
   
  
  
       3.50    3.60
       3.50    3.60
   
        -21.22822661 
        -21.23402455 
        -21.23015926 
   
  
  
       3.39    3.51
       3.44    3.56
   
        -21.22935793 
        -21.23515588 
        -21.23129058 
   
  
  
       2.02    2.18
       2.52    2.68
   
         -6.61594548 
         -6.62174346 
         -6.61787814 
   
  
  
       2.71    2.84
       3.27    3.41
   
        -18.99067572 
        -18.99647377 
        -18.99260840 
   
  
  
       2.77    2.87
       3.30    3.41
   
        -21.75108024 
        -21.75687831 
        -21.75301293 
   
  
  
       2.44    2.60
       3.01    3.19
   
        -24.31337461 
        -24.31917273 
        -24.31530732 
   
  
  
       2.31    2.46
       2.89    3.04
   
        -24.58422723 
        -24.59002535 
        -24.58615994 
   
  
  
       2.19    2.37
       2.83    3.02
   
        -24.61652421 
        -24.62232233 
        -24.61845692 
   
  
  
       2.15    2.36
       2.65    2.86
   
        -24.69864633 
        -24.70444441 
        -24.70057903 
   
  
  
       2.99    3.17
       3.47    3.66
   
        -24.71000632 
        -24.71580439 
        -24.71193901 
   
  
  
       2.37    2.54
       2.82    3.01
   
        -24.72290064 
        -24.72869872 
        -24.72483333 
   
  
  
       2.27    2.39
       2.81    2.93
   
        -24.73070419 
        -24.73650229 
        -24.73263689 
   
  
  
       2.25    2.39
       2.75    2.90
   
        -24.73630293 
        -24.74210103 
        -24.73823563 
   
  
  
       2.58    2.71
       3.10    3.23
   
        -24.73952064 
        -24.74531874 
        -24.74145334 
   
  
  
       2.55    2.67
       3.07    3.19
   
        -24.74079960 
        -24.74659771 
        -24.74273230