vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  01:21:48 
 
 
  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 
    
   
   
           0.38475043       0.42762196       0.53322960 
           0.44145265       0.52763882       0.38990327 
           0.58328901       0.51973012       0.32678012 
           0.35311112       0.57603573       0.27552858 
           0.26297224       0.48806940       0.57476544 
           0.36967936       0.26338557       0.49137074 
           0.61898585       0.66882660       0.25811700 
           0.67071084       0.48282606       0.45073905 
           0.59658528       0.40084158       0.20502828 
           0.46444344       0.43510655       0.66955509 
           0.47310041       0.82797763       0.56532967 
           0.42930952       0.90001433       0.57749485 
   
  
  
           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 
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          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
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          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 
   
  
  
          0.38475043       0.42762196       0.53322960 
          0.44145265       0.52763882       0.38990327 
          0.58328901       0.51973012       0.32678012 
          0.35311112       0.57603573       0.27552858 
          0.26297224       0.48806940       0.57476544 
          0.36967936       0.26338557       0.49137074 
          0.61898585       0.66882660       0.25811700 
          0.67071084       0.48282606       0.45073905 
          0.59658528       0.40084158       0.20502828 
          0.46444344       0.43510655       0.66955509 
          0.47310041       0.82797763       0.56532967 
          0.42930952       0.90001433       0.57749485 
  
 
 
  
      10.15   10.23
      10.33   10.42
   
         23.83307581 
       1506.27741134 
      -5865.13735443 
        306.56747702 
       4102.18079837 
      -4139.55860478 
         -0.00027552 
       -428.26557921 
       5082.48689363 
        588.38384224 
        588.38411776 
        588.38393408 
   
  
  
      12.32   12.33
      12.32   12.33
   
         35.65336369 
         35.64964470 
         35.65212403 
   
  
  
      10.37   10.38
      10.37   10.38
   
        -51.88527699 
        -51.89213497 
        -51.88756298 
   
  
  
      11.01   11.02
      11.01   11.02
   
        -53.34248099 
        -53.34832754 
        -53.34442984 
   
  
  
      11.01   11.02
      11.06   11.07
   
        -53.38008925 
        -53.38593217 
        -53.38203689 
   
  
  
      12.18   12.19
      12.35   12.36
   
     -15380.20077104 
     -15380.20161780 
     -15380.20105329 
   
  
  
       9.84    9.84
      10.01   10.02
   
         -2.34574551 
         -2.32777336 
         -2.33975479 
   
  
  
      10.06   10.07
      10.23   10.24
   
        -45.17428184 
        -45.17063844 
        -45.17306738 
   
  
  
      10.78   10.79
      10.95   10.96
   
        -55.76539936 
        -55.77124415 
        -55.76734762 
   
  
  
      10.69   10.71
      10.87   10.88
   
        -61.10266549 
        -61.10850091 
        -61.10461063 
   
  
  
      12.02   12.03
      12.19   12.20
   
      -1846.13119219 
      -1846.09437646 
      -1846.11892028 
   
  
  
       9.66    9.68
       9.84    9.85
   
        -50.69811684 
        -50.70397286 
        -50.70006885 
   
  
  
       9.95    9.95
      10.12   10.12
   
        -64.19995638 
        -64.20578546 
        -64.20189941 
   
  
  
       9.78    9.80
       9.97    9.98
   
        -61.73826245 
        -61.74409345 
        -61.74020612 
   
  
  
      10.83   10.85
      11.00   11.02
   
        -60.55346526 
        -60.55929721 
        -60.55540924 
   
  
  
       8.74    8.75
       8.92    8.93
   
        -51.62646496 
        -51.63611797 
        -51.62968263 
   
  
  
       9.13    9.14
       9.30    9.31
   
        -58.84686480 
        -58.85269783 
        -58.84880915 
   
  
  
      10.93   10.94
      11.10   11.11
   
      -2055.09942841 
      -2055.09549262 
      -2055.09811648 
   
  
  
       9.82    9.84
      10.00   10.02
   
        -52.03107090 
        -52.03690315 
        -52.03301498 
   
  
  
       8.72    8.77
       8.99    9.04
   
        -50.75602365 
        -50.76218245 
        -50.75807658 
   
  
  
       7.38    7.40
       7.59    7.60
   
        -61.05166650 
        -61.05749852 
        -61.05361050 
   
  
  
       7.46    7.48
       7.63    7.65
   
        -61.25872929 
        -61.26456210 
        -61.26067356 
   
  
  
       4.52    4.60
       4.69    4.77
   
        -60.60885527 
        -60.61468634 
        -60.61079896 
   
  
  
       3.40    3.41
       3.56    3.57
   
        -60.71975873 
        -60.72559212 
        -60.72170319 
   
  
  
       3.56    3.57
       3.72    3.73
   
        -60.28743605 
        -60.29326730 
        -60.28937980 
   
  
  
       3.62    3.63
       3.78    3.79
   
        -60.94142307 
        -60.94725523 
        -60.94336712 
   
  
  
       3.49    3.50
       3.65    3.66
   
        -60.94742421 
        -60.95325595 
        -60.94936812 
   
  
  
       3.64    3.64
       3.81    3.81
   
        -60.87553431 
        -60.88136627 
        -60.87747830 
   
  
  
       3.52    3.53
       3.68    3.70
   
        -60.81867735 
        -60.82450941 
        -60.82062137 
   
  
  
       3.33    3.34
       3.49    3.50
   
        -60.91733619 
        -60.92316826 
        -60.91928022 
   
  
  
       3.58    3.60
       3.75    3.77
   
        -60.79051807 
        -60.79635050 
        -60.79246221 
   
  
  
       1.87    1.95
       2.03    2.11
   
        -60.82303547 
        -60.82886793 
        -60.82497962 
   
  
  
       1.84    1.84
       2.00    2.00
   
        -59.82295032 
        -59.82878253 
        -59.82489439 
   
  
  
       1.88    1.90
       2.04    2.06
   
        -59.81989212 
        -59.82572434 
        -59.82183619 
   
  
  
       1.97    1.98
       2.13    2.14
   
        -60.35598933 
        -60.36182152 
        -60.35793339 
   
  
  
       1.95    1.96
       2.12    2.13
   
        -58.80059310 
        -58.80642529 
        -58.80253716 
   
  
  
       1.06    1.07
       1.22    1.23
   
        -58.36232240 
        -58.36815453 
        -58.36426644 
   
  
  
       0.74    0.82
       0.90    0.98
   
        -59.74432116 
        -59.75015332 
        -59.74626521 
   
  
  
       0.69    0.70
       0.85    0.86
   
        -60.43650240 
        -60.44233461 
        -60.43844647 
   
  
  
       0.68    0.69
       0.84    0.85
   
        -64.13136799 
        -64.13720035 
        -64.13331211 
   
  
  
       0.68    0.69
       0.85    0.86
   
        -61.01745308 
        -61.02328588 
        -61.01939735 
   
  
  
       0.68    0.69
       0.84    0.85
   
        -58.39450532 
        -58.40037809 
        -58.39646291 
   
  
  
       0.68    0.68
       0.84    0.84
   
        -60.33731651 
        -60.34315473 
        -60.33926258 
   
  
  
       0.68    0.69
       0.85    0.86
   
        -54.44018401 
        -54.45791345 
        -54.44609382 
   
  
  
       0.67    0.68
       0.84    0.85
   
        -60.79761033 
        -60.80344344 
        -60.79955470 
   
  
  
       0.65    0.66
       0.82    0.82
   
        -55.73201818 
        -55.73844457 
        -55.73416031 
   
  
  
       0.68    0.68
       0.85    0.85
   
        -60.90223552 
        -60.90806956 
        -60.90418020 
   
  
  
       0.67    0.68
       0.83    0.84
   
        -59.64198324 
        -59.64783236 
        -59.64393295 
   
  
  
       0.69    0.70
       0.86    0.87
   
        -59.41140617 
        -59.41725945 
        -59.41335726 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -58.90971622 
        -58.91558047 
        -58.91167097 
   
  
  
       0.69    0.69
       0.85    0.86
   
        -61.51823385 
        -61.52406593 
        -61.52017788 
   
  
  
       0.78    0.78
       0.94    0.95
   
       -653.76644926 
       -653.73994761 
       -653.75761538 
   
  
  
       0.69    0.70
       0.86    0.87
   
        -51.94205396 
        -51.94790359 
        -51.94400384 
   
  
  
       0.72    0.73
       0.89    0.89
   
        -59.99415045 
        -59.99997992 
        -59.99609361 
   
  
  
       0.72    0.72
       0.89    0.89
   
        -61.76565488 
        -61.77148591 
        -61.76759855 
   
  
  
       0.70    0.71
       0.87    0.88
   
        -54.96835366 
        -54.97590531 
        -54.97087087 
   
  
  
       0.71    0.72
       0.88    0.88
   
        -61.03473352 
        -61.04056459 
        -61.03667721 
   
  
  
       0.65    0.66
       0.82    0.83
   
       -102.89530242 
       -102.87552150 
       -102.88870878 
   
  
  
       0.67    0.68
       0.84    0.85
   
        -57.50454925 
        -57.45926478 
        -57.48945442 
   
  
  
       0.67    0.67
       0.83    0.84
   
        -54.93500115 
        -54.94144396 
        -54.93714876 
   
  
  
       0.71    0.72
       0.88    0.89
   
        -61.13407196 
        -61.13990390 
        -61.13601594 
   
  
  
       0.91    0.92
       1.08    1.09
   
      -7102.73707632 
      -7102.72803803 
      -7102.73406356 
   
  
  
       0.72    0.72
       0.89    0.89
   
        -48.49511954 
        -48.50108170 
        -48.49710693 
   
  
  
       0.72    0.73
       0.90    0.90
   
        -78.87393719 
        -78.87503090 
        -78.87430176 
   
  
  
       0.73    0.73
       0.89    0.90
   
        -58.29774640 
        -58.30358389 
        -58.29969223 
   
  
  
       0.76    0.77
       0.93    0.94
   
        -59.98264933 
        -59.98848396 
        -59.98459421