vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 04 
  01:36:29 
 
 
  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 
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            0.00000000       0.00000000       0.12500000 
    
   
   
           0.38523259       0.42891963       0.53181328 
           0.44302056       0.52394253       0.38751572 
           0.58412465       0.51742170       0.32498860 
           0.35360407       0.57294460       0.27130413 
           0.26252658       0.49000491       0.57127815 
           0.36968871       0.26218557       0.49567034 
           0.61992265       0.66732884       0.25779515 
           0.67080494       0.47978959       0.44943127 
           0.59925106       0.39994766       0.20190539 
           0.46434196       0.43934013       0.66905302 
           0.47935321       0.84277305       0.56792907 
           0.41651915       0.89347617       0.58915755 
   
  
  
           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       0.50000000 
          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
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    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 
   
  
  
          0.38523259       0.42891963       0.53181328 
          0.44302056       0.52394253       0.38751572 
          0.58412465       0.51742170       0.32498860 
          0.35360407       0.57294460       0.27130413 
          0.26252658       0.49000491       0.57127815 
          0.36968871       0.26218557       0.49567034 
          0.61992265       0.66732884       0.25779515 
          0.67080494       0.47978959       0.44943127 
          0.59925106       0.39994766       0.20190539 
          0.46434196       0.43934013       0.66905302 
          0.47935321       0.84277305       0.56792907 
          0.41651915       0.89347617       0.58915755 
  
 
 
  
      10.00   10.09
      10.15   10.24
   
         23.83307581 
       1483.63440311 
      -5844.93126672 
        306.41999082 
       4102.18079837 
      -4139.55860478 
          0.00023589 
       -426.43139281 
       5082.48689363 
        587.63413333 
        587.63389744 
        587.63405470 
   
  
  
      12.33   12.34
      12.33   12.34
   
         35.21557496 
         35.20833894 
         35.21316295 
   
  
  
      10.53   10.53
      10.53   10.53
   
        -52.29735219 
        -52.30447464 
        -52.29972634 
   
  
  
      10.90   10.91
      10.90   10.91
   
        -53.71908057 
        -53.72491120 
        -53.72102411 
   
  
  
      11.27   11.29
      11.31   11.33
   
        -53.75580416 
        -53.76162995 
        -53.75774609 
   
  
  
      11.64   11.65
      11.82   11.83
   
      -3240.59181941 
      -3240.56680590 
      -3240.58348157 
   
  
  
      10.74   10.75
      10.91   10.92
   
     -17219.60572755 
     -17219.61375335 
     -17219.60840282 
   
  
  
       9.89    9.91
      10.07   10.08
   
        -23.32357702 
        -23.32953262 
        -23.32556222 
   
  
  
       9.91    9.93
      10.08   10.10
   
        -49.16879193 
        -49.17462167 
        -49.17073518 
   
  
  
      10.18   10.20
      10.36   10.37
   
        -57.83598194 
        -57.84180643 
        -57.83792344 
   
  
  
       9.93    9.94
      10.11   10.12
   
        -59.54111451 
        -59.54693887 
        -59.54305597 
   
  
  
      10.26   10.27
      10.43   10.44
   
        -60.46699784 
        -60.47282141 
        -60.46893903 
   
  
  
      10.33   10.34
      10.53   10.54
   
        -60.80300840 
        -60.80883213 
        -60.80494965 
   
  
  
      11.39   11.41
      11.56   11.59
   
      -1465.78283601 
      -1465.74305059 
      -1465.76957421 
   
  
  
      10.70   10.71
      10.88   10.89
   
     -16359.96147126 
     -16359.92236765 
     -16359.94843673 
   
  
  
       9.40    9.42
       9.58    9.59
   
        -51.19523155 
        -51.20112178 
        -51.19719496 
   
  
  
       9.80    9.82
       9.99   10.01
   
        -58.76281014 
        -58.76864480 
        -58.76475502 
   
  
  
      10.43   10.44
      10.60   10.61
   
        -60.63487784 
        -60.64070257 
        -60.63681942 
   
  
  
      10.62   10.64
      10.80   10.81
   
        -60.54459696 
        -60.55042006 
        -60.54653799 
   
  
  
      10.19   10.24
      10.36   10.41
   
        -60.40301930 
        -60.40884233 
        -60.40496031 
   
  
  
       7.37    7.40
       7.54    7.57
   
        -59.82063805 
        -59.82646097 
        -59.82257902 
   
  
  
       5.79    5.81
       5.95    5.98
   
        -60.55491188 
        -60.56073472 
        -60.55685282 
   
  
  
       3.86    4.04
       4.03    4.20
   
     -10540.47030472 
     -10540.46020199 
     -10540.46693714 
   
  
  
       2.10    2.15
       2.25    2.31
   
        -45.98986186 
        -45.99228092 
        -45.99066821 
   
  
  
       0.80    0.84
       0.96    1.00
   
        -58.62060042 
        -58.62642020 
        -58.62254035 
   
  
  
       0.73    0.74
       0.89    0.89
   
        -60.62656532 
        -60.63238482 
        -60.62850515 
   
  
  
       0.66    0.67
       0.82    0.82
   
        -55.98188637 
        -55.98769542 
        -55.98382272 
   
  
  
       0.70    0.71
       0.86    0.86
   
        -59.81035016 
        -59.81617227 
        -59.81229086 
   
  
  
       0.72    0.73
       0.88    0.89
   
        -60.54528717 
        -60.55110816 
        -60.54722750 
   
  
  
       0.70    0.71
       0.86    0.86
   
        -55.12659315 
        -55.13257604 
        -55.12858745 
   
  
  
       0.85    0.86
       1.01    1.02
   
      -9613.17330591 
      -9613.18077565 
      -9613.17579582 
   
  
  
       0.72    0.73
       0.88    0.89
   
        -40.60033693 
        -40.58746055 
        -40.59604480 
   
  
  
       0.72    0.73
       0.88    0.88
   
        -58.68235116 
        -58.68817060 
        -58.68429097 
   
  
  
       0.72    0.72
       0.88    0.88
   
        -60.81652419 
        -60.82234563 
        -60.81846467 
   
  
  
       0.72    0.73
       0.88    0.88
   
        -64.25197484 
        -64.25779633 
        -64.25391534 
   
  
  
       0.74    0.74
       0.90    0.90
   
        -59.65622165 
        -59.66204334 
        -59.65816222 
   
  
  
       0.75    0.76
       0.91    0.92
   
        -60.68597880 
        -60.69180056 
        -60.68791938 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -61.04402836 
        -61.04984692 
        -61.04596788 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -61.44744681 
        -61.45326355 
        -61.44938573 
   
  
  
       0.68    0.69
       0.85    0.85
   
        -60.03473460 
        -60.04055525 
        -60.03667482 
   
  
  
       0.70    0.71
       0.86    0.87
   
        -60.90991478 
        -60.91573652 
        -60.91185536 
   
  
  
       0.72    0.72
       0.88    0.89
   
        -60.94497947 
        -60.95080183 
        -60.94692025 
   
  
  
       0.66    0.67
       0.83    0.83
   
        -56.23964820 
        -56.24546766 
        -56.24158802 
   
  
  
       0.68    0.68
       0.84    0.85
   
        -60.87547927 
        -60.88130177 
        -60.87742010 
   
  
  
       0.69    0.69
       0.85    0.86
   
        -55.16782615 
        -55.17377998 
        -55.16981076 
   
  
  
       0.70    0.70
       0.86    0.87
   
        -60.71746669 
        -60.72328927 
        -60.71940755 
   
  
  
       0.70    0.71
       0.87    0.88
   
        -61.27972796 
        -61.28554805 
        -61.28166799 
   
  
  
       0.68    0.69
       0.85    0.86
   
        -61.90284409 
        -61.90866106 
        -61.90478308 
   
  
  
       0.66    0.67
       0.83    0.84
   
        -61.51251131 
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        -61.51445093 
   
  
  
       0.66    0.67
       0.83    0.84
   
        -55.23173383 
        -55.23755691 
        -55.23367486 
   
  
  
       0.71    0.71
       0.87    0.88
   
        -60.45152356 
        -60.45734656 
        -60.45346456 
   
  
  
       0.68    0.69
       0.85    0.85
   
        -55.17103358 
        -55.17698013 
        -55.17301576 
   
  
  
       0.70    0.70
       0.87    0.87
   
        -60.62685783 
        -60.63268085 
        -60.62879884 
   
  
  
       0.69    0.69
       0.86    0.86
   
        -58.91165764 
        -58.91748098 
        -58.91359876 
   
  
  
       0.70    0.71
       0.87    0.88
   
        -60.82823642 
        -60.83405944 
        -60.83017743 
   
  
  
       0.67    0.68
       0.84    0.84
   
        -61.54861401 
        -61.55443284 
        -61.55055362 
   
  
  
       0.66    0.66
       0.83    0.83
   
        -60.77763576 
        -60.78345936 
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       0.67    0.68
       0.84    0.85
   
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       0.83    0.83
       1.00    1.00
   
     -83985.15700778 
     -83985.15809315 
     -83985.15736957 
   
  
  
       0.72    0.73
       0.89    0.89
   
         -9.92407856 
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       0.74    0.75
       0.91    0.91
   
        -55.80079352 
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        -55.80273363 
   
  
  
       0.75    0.76
       0.92    0.92
   
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       0.76    0.76
       0.93    0.93
   
        -60.07830799 
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       0.75    0.75
       0.92    0.92
   
        -60.51191002 
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       0.75    0.76
       0.92    0.92
   
        -60.69264561 
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