vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 01 
  17:32:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.80675668       0.68148426       0.03541874 
           0.63103824       0.77843416       0.78945304 
           0.80912588       0.53842586       0.58662669 
           0.88320737       0.60051494       0.19631918 
           0.07881014       0.93812945       0.93776862 
           0.95094677       0.04558911       0.67996473 
           0.01855547       0.49467130       0.20944193 
           0.59748470       0.44026930       0.06324437 
           0.77621201       0.16658534       0.70418645 
           0.06116552       0.93635306       0.88878412 
           0.37914438       0.78616429       0.67412462 
           0.41001645       0.96907996       0.61950100 
   
  
  
           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
       40
       -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
   
   
         1
     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 
   
  
  
          0.80675668       0.68148426       0.03541874 
          0.63103824       0.77843416       0.78945304 
          0.80912588       0.53842586       0.58662669 
          0.88320737       0.60051494       0.19631918 
          0.07881014       0.93812945       0.93776862 
          0.95094677       0.04558911       0.67996473 
          0.01855547       0.49467130       0.20944193 
          0.59748470       0.44026930       0.06324437 
          0.77621201       0.16658534       0.70418645 
          0.06116552       0.93635306       0.88878412 
          0.37914438       0.78616429       0.67412462 
          0.41001645       0.96907996       0.61950100 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       4.36    4.41
       4.44    4.48
   
         23.83307581 
        445.85153619 
      -4301.62317035 
        304.39124100 
       4104.28886790 
      -4141.72589677 
         -0.00917341 
       -589.43120884 
       5082.48689363 
        928.06216517 
        928.07133858 
        928.06522297 
   
  
  
       4.97    4.98
       4.97    4.98
   
        437.84542139 
        437.85243699 
        437.84775992 
   
  
  
       4.25    4.26
       4.26    4.26
   
        350.59961832 
        350.61283346 
        350.60402337 
   
  
  
       3.95    3.95
       3.95    3.95
   
        347.59502356 
        347.60794067 
        347.59932926 
   
  
  
       4.98    4.98
       5.00    5.01
   
        347.48845962 
        347.50131627 
        347.49274517 
   
  
  
       4.95    4.95
       5.02    5.03
   
        368.69177071 
        368.69575199 
        368.69309780 
   
  
  
       4.88    4.89
       4.96    4.97
   
        367.76159904 
        367.80840818 
        367.77720208 
   
  
  
       4.32    4.32
       4.39    4.39
   
        378.61952378 
        378.61508075 
        378.61804277 
   
  
  
       4.36    4.36
       4.43    4.43
   
        376.94006788 
        376.94732423 
        376.94248666 
   
  
  
       4.07    4.07
       4.14    4.14
   
        376.47819838 
        376.54104281 
        376.49914653 
   
  
  
       4.54    4.55
       4.62    4.63
   
        374.29070755 
        374.28990487 
        374.29043999 
   
  
  
       5.01    5.02
       5.08    5.09
   
        374.49641527 
        374.52129354 
        374.50470803 
   
  
  
       4.24    4.24
       4.31    4.32
   
        374.50654443 
        374.53142166 
        374.51483684 
   
  
  
       3.77    3.79
       3.85    3.86
   
        374.92329949 
        374.93898264 
        374.92852721 
   
  
  
       3.79    3.80
       3.87    3.87
   
        374.58577624 
        374.60937356 
        374.59364201 
   
  
  
       4.27    4.27
       4.34    4.35
   
        374.64719166 
        374.66563536 
        374.65333956 
   
  
  
       3.70    3.71
       3.78    3.78
   
        374.48314437 
        374.55600593 
        374.50743155 
   
  
  
       4.00    4.00
       4.07    4.07
   
        374.90681550 
        374.96867202 
        374.92743434 
   
  
  
       3.99    4.00
       4.06    4.07
   
        367.27910429 
        367.35820566 
        367.30547141 
   
  
  
       3.83    3.85
       3.91    3.92
   
        368.60078842 
        368.74113490 
        368.64757058 
   
  
  
       5.07    5.07
       5.15    5.15
   
        368.75039745 
        368.90094348 
        368.80057946 
   
  
  
       3.70    3.70
       3.78    3.78
   
        366.46825176 
        366.53081952 
        366.48910768 
   
  
  
       4.06    4.06
       4.13    4.14
   
        365.76955768 
        365.76254578 
        365.76722038 
   
  
  
       3.70    3.71
       3.79    3.80
   
        362.42208290 
        362.50985474 
        362.45134018 
   
  
  
       3.71    3.72
       3.79    3.80
   
        293.67690074 
        293.70668422 
        293.68682857 
   
  
  
       6.14    6.15
       6.21    6.22
   
     -44724.25997202 
     -44724.25911506 
     -44724.25968637 
   
  
  
       4.04    4.05
       4.12    4.12
   
        152.21876469 
        152.22675766 
        152.22142901 
   
  
  
       5.08    5.08
       5.15    5.16
   
       -601.25527519 
       -601.25565965 
       -601.25540334 
   
  
  
       4.35    4.35
       4.42    4.42
   
        145.84478370 
        145.85678333 
        145.84878357 
   
  
  
       3.86    3.87
       3.94    3.95
   
        266.96830267 
        267.00354586 
        266.98005040 
   
  
  
       4.10    4.10
       4.18    4.18
   
        244.40494559 
        244.44258044 
        244.41749054 
   
  
  
       4.34    4.35
       4.41    4.42
   
       -110.36113502 
       -110.32220729 
       -110.34815911 
   
  
  
       3.92    3.92
       3.99    4.00
   
        -12.32288001 
        -12.28733427 
        -12.31103143 
   
  
  
       4.02    4.03
       4.09    4.11
   
        -37.31955968 
        -37.28377476 
        -37.30763138 
   
  
  
       4.66    4.66
       4.74    4.74
   
         75.57263943 
         75.62494118 
         75.59007335 
   
  
  
       3.86    3.90
       3.94    3.98
   
        140.42049665 
        140.45357895 
        140.43152408 
   
  
  
       3.53    3.54
       3.62    3.62
   
       -101.51130698 
       -101.43554049 
       -101.48605149 
   
  
  
       3.78    3.78
       3.86    3.87
   
       -125.91379270 
       -125.85738552 
       -125.89499031 
   
  
  
       3.58    3.58
       3.65    3.66
   
       -203.84415515 
       -203.80575845 
       -203.83135625 
   
  
  
       3.22    3.25
       3.29    3.32
   
       -144.52992042 
       -144.47352783 
       -144.51112289 
   
  
  
       2.78    2.78
       2.85    2.86
   
       -147.23501495 
       -147.17862313 
       -147.21621767 
   
  
  
       2.72    2.72
       2.79    2.80
   
       -150.69235316 
       -150.63596226 
       -150.67355619 
   
  
  
       3.06    3.07
       3.14    3.15
   
        -74.05902317 
        -74.00262970 
        -74.04022535 
   
  
  
       3.16    3.16
       3.24    3.24
   
       -914.03960042 
       -914.00445772 
       -914.02788619 
   
  
  
       2.62    2.63
       2.70    2.71
   
        179.39866840 
        179.45228489 
        179.41654057 
   
  
  
       2.24    2.25
       2.33    2.34
   
       -391.34311713 
       -391.31145524 
       -391.33256317 
   
  
  
       2.29    2.31
       2.36    2.38
   
       -403.48866010 
       -403.43225351 
       -403.46985790 
   
  
  
       2.01    2.01
       2.08    2.09
   
       -594.56571230 
       -594.51131415 
       -594.54757958 
   
  
  
       1.91    1.91
       1.99    1.99
   
       -807.83707091 
       -807.78909956 
       -807.82108046 
   
  
  
       1.97    1.98
       2.05    2.06
   
      -1007.67251936 
      -1007.63786671 
      -1007.66096848 
   
  
  
       2.14    2.16
       2.22    2.24
   
       -550.41763974 
       -550.36273134 
       -550.39933694 
   
  
  
       2.00    2.01
       2.08    2.08
   
       -245.60387466 
       -245.54900549 
       -245.58558493 
   
  
  
       1.83    1.84
       1.90    1.92
   
        224.95048371 
        224.96129504 
        224.95408749 
   
  
  
       1.47    1.54
       1.55    1.62
   
        341.78537890 
        341.80350452 
        341.79142077 
   
  
  
       1.47    1.48
       1.55    1.55
   
        320.55885141 
        320.55296870 
        320.55689051 
   
  
  
       1.53    1.53
       1.60    1.61
   
        228.83591547 
        228.87622658 
        228.84935250 
   
  
  
       1.39    1.40
       1.47    1.47
   
        345.55975083 
        345.57954461 
        345.56634876 
   
  
  
       1.31    1.31
       1.38    1.39
   
        492.20837147 
        492.20422860 
        492.20699051 
   
  
  
       1.51    1.52
       1.59    1.60
   
        308.05008845 
        308.06512322 
        308.05510004 
   
  
  
       1.21    1.21
       1.29    1.29
   
        366.56763349 
        366.61145334 
        366.58224011 
   
  
  
       1.42    1.43
       1.50    1.50
   
        342.24724954 
        342.24995938 
        342.24815282 
   
  
  
       1.37    1.37
       1.44    1.45
   
        355.19910994 
        355.24575393 
        355.21465794 
   
  
  
       1.19    1.20
       1.27    1.28
   
        362.81933439 
        362.85879495 
        362.83248791 
   
  
  
       1.15    1.16
       1.23    1.24
   
        297.83182982 
        297.88527815 
        297.84964593 
   
  
  
       1.22    1.23
       1.30    1.30
   
        365.82678731 
        365.85802784 
        365.83720082 
   
  
  
       1.34    1.34
       1.42    1.42
   
        366.53535607 
        366.57320456 
        366.54797223 
   
  
  
       1.38    1.39
       1.46    1.46
   
        367.06074036 
        367.14129699 
        367.08759257 
   
  
  
       1.43    1.45
       1.51    1.53
   
        366.20039442 
        366.27800678 
        366.22626521 
   
  
  
       0.91    0.92
       0.99    1.00
   
        364.39691780 
        364.41930880 
        364.40438147 
   
  
  
       0.81    0.83
       0.89    0.90
   
        363.68910463 
        363.75237666 
        363.71019530 
   
  
  
       0.82    0.82
       0.89    0.90
   
        360.74270228 
        360.80839160 
        360.76459872 
   
  
  
       0.74    0.74
       0.81    0.82
   
        361.04584964 
        361.08359089 
        361.05843006 
   
  
  
       0.77    0.78
       0.85    0.85
   
        360.68325469 
        360.71618697 
        360.69423212 
   
  
  
       0.71    0.71
       0.79    0.79
   
        360.85342113 
        360.85065971 
        360.85250066 
   
  
  
       0.79    0.79
       0.86    0.87
   
        363.47512291 
        363.58555968 
        363.51193517 
   
  
  
       0.83    0.84
       0.90    0.91
   
        360.56393115 
        360.64927593 
        360.59237941 
   
  
  
       0.77    0.78
       0.85    0.85
   
        363.13474982 
        363.12344503 
        363.13098156 
   
  
  
       0.73    0.73
       0.81    0.81
   
        363.44209305 
        363.42409063 
        363.43609224 
   
  
  
       0.79    0.80
       0.86    0.87
   
        362.35229061 
        362.38717845 
        362.36391989 
   
  
  
       0.74    0.75
       0.81    0.82
   
        366.44058126 
        366.38922599 
        366.42346283 
   
  
  
       0.87    0.88
       0.95    0.95
   
        373.37729213 
        373.52967580 
        373.42808669 
   
  
  
       0.75    0.75
       0.82    0.83
   
        373.39198557 
        373.54207936 
        373.44201684 
   
  
  
       0.71    0.71
       0.78    0.79
   
        373.85859879 
        374.00887356 
        373.90869038 
   
  
  
       0.68    0.68
       0.75    0.75
   
        374.75594670 
        374.82946304 
        374.78045215 
   
  
  
       0.85    0.85
       0.92    0.93
   
        374.91956334 
        375.04001210 
        374.95971293 
   
  
  
       0.72    0.72
       0.80    0.80
   
        374.38880577 
        374.41860610 
        374.39873921 
   
  
  
       0.84    0.85
       0.92    0.92
   
        374.29230023 
        374.32814152 
        374.30424732 
   
  
  
       0.94    0.94
       1.01    1.01
   
      -1127.63760060 
      -1127.58703923 
      -1127.62074681 
   
  
  
       0.79    0.79
       0.86    0.86
   
     -54696.34468569 
     -54696.34875638 
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