vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:11:32 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.84255269       0.49876113       0.18946509 
           0.74340923       0.17484288       0.33121495 
           0.02512049       0.54687401       0.31126594 
           0.99158538       0.18198040       0.21250619 
           0.91133097       0.43171516       0.41487751 
           0.91213618       0.43622034       0.34773166 
           0.40853941       0.42713718       0.29164492 
           0.40804290       0.51378038       0.54268125 
           0.24294524       0.35227863       0.71855095 
           0.95837999       0.89889512       0.83456409 
           0.41541400       0.47200392       0.85615114 
           0.43470967       0.33156104       0.69097111 
           0.76390796       0.28603526       0.53874548 
           0.74382777       0.43167257       0.77149853 
           0.99833850       0.46043565       0.57071961 
           0.12171283       0.44860630       0.64003645 
           0.21043076       0.49297801       0.11818203 
           0.15864926       0.21690484       0.44498162 
           0.50586759       0.51346885       0.15376635 
           0.42263173       0.27620973       0.39166256 
           0.45976778       0.33397547       0.94534360 
           0.50018780       0.59513090       0.44464754 
           0.42877598       0.42748780       0.31641650 
           0.41474813       0.46960134       0.54727556 
           0.45372839       0.87616195       0.60631990 
           0.47198256       0.17418809       0.85097713 
           0.68071304       0.59679498       0.70357216 
           0.34193924       0.44026141       0.66432932 
           0.24382134       0.42099893       0.34378150 
           0.28836896       0.43295162       0.88615925 
           0.42424887       0.62691593       0.56901617 
           0.45098758       0.58042850       0.66073309 
           0.44525205       0.37120185       0.60870514 
           0.96423510       0.38093621       0.40495705 
           0.40824518       0.42720881       0.94481621 
           0.86444485       0.45914639       0.42954106 
           0.67285988       0.71945467       0.66297873 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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
         1.11000000      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      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
        26.48045847
         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  
  
 
 
        37 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.84255269       0.49876113       0.18946509 
          0.74340923       0.17484288       0.33121495 
          0.02512049       0.54687401       0.31126594 
          0.99158538       0.18198040       0.21250619 
          0.91133097       0.43171516       0.41487751 
          0.91213618       0.43622034       0.34773166 
          0.40853941       0.42713718       0.29164492 
          0.40804290       0.51378038       0.54268125 
          0.24294524       0.35227863       0.71855095 
          0.95837999       0.89889512       0.83456409 
          0.41541400       0.47200392       0.85615114 
          0.43470967       0.33156104       0.69097111 
          0.76390796       0.28603526       0.53874548 
          0.74382777       0.43167257       0.77149853 
          0.99833850       0.46043565       0.57071961 
          0.12171283       0.44860630       0.64003645 
          0.21043076       0.49297801       0.11818203 
          0.15864926       0.21690484       0.44498162 
          0.50586759       0.51346885       0.15376635 
          0.42263173       0.27620973       0.39166256 
          0.45976778       0.33397547       0.94534360 
          0.50018780       0.59513090       0.44464754 
          0.42877598       0.42748780       0.31641650 
          0.41474813       0.46960134       0.54727556 
          0.45372839       0.87616195       0.60631990 
          0.47198256       0.17418809       0.85097713 
          0.68071304       0.59679498       0.70357216 
          0.34193924       0.44026141       0.66432932 
          0.24382134       0.42099893       0.34378150 
          0.28836896       0.43295162       0.88615925 
          0.42424887       0.62691593       0.56901617 
          0.45098758       0.58042850       0.66073309 
          0.44525205       0.37120185       0.60870514 
          0.96423510       0.38093621       0.40495705 
          0.40824518       0.42720881       0.94481621 
          0.86444485       0.45914639       0.42954106 
          0.67285988       0.71945467       0.66297873 
  
 
 
  
       6.32    6.35
       6.98    7.00
   
         24.95083145 
       8108.95317872 
      -9892.34082586 
       -282.14759236 
       2937.01645563 
      -2374.63634374 
         -0.00077649 
       -270.68584253 
       3495.14563384 
       1746.25471866 
       1746.25549514 
       1746.25497749 
   
  
  
       8.03    8.03
       8.04    8.04
   
        882.37098650 
        882.36683494 
        882.36960265 
   
  
  
       9.95    9.95
       9.95    9.95
   
        650.25859085 
        650.27358710 
        650.26358960 
   
  
  
       8.01    8.01
       8.01    8.01
   
        624.39934916 
        624.41257987 
        624.40375939 
   
  
  
       8.06    8.06
       8.18    8.18
   
        622.96378887 
        622.97383886 
        622.96713886 
   
  
  
       9.10    9.10
       9.85    9.85
   
        703.67483360 
        703.67751316 
        703.67572678 
   
  
  
       8.27    8.27
       9.03    9.03
   
        767.53132279 
        767.54857100 
        767.53707220 
   
  
  
       7.85    7.85
       8.59    8.59
   
        779.55212362 
        779.55317697 
        779.55247474 
   
  
  
       7.63    7.63
       8.35    8.35
   
        780.17651434 
        780.16141862 
        780.17148243 
   
  
  
       7.76    7.76
       8.49    8.49
   
        778.13884538 
        778.18257331 
        778.15342136 
   
  
  
       7.43    7.43
       8.18    8.18
   
        768.03839909 
        768.03752664 
        768.03810828 
   
  
  
       7.17    7.17
       7.91    7.91
   
        764.07616080 
        764.08140596 
        764.07790919 
   
  
  
       6.87    6.87
       7.62    7.62
   
        771.74420009 
        771.76581326 
        771.75140448 
   
  
  
       7.05    7.05
       7.78    7.78
   
        778.30215724 
        778.34907517 
        778.31779655 
   
  
  
       7.20    7.20
       7.93    7.93
   
        791.37681128 
        791.38094300 
        791.37818852 
   
  
  
       7.01    7.01
       7.76    7.76
   
        788.08951804 
        788.10531678 
        788.09478429 
   
  
  
       7.14    7.14
       7.88    7.88
   
        785.73063792 
        785.73545235 
        785.73224273 
   
  
  
       7.13    7.13
       7.86    7.86
   
        786.10070541 
        786.10377998 
        786.10173027