vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  09:10:42 
 
 
  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      0.32000000      0.75000000
  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 
    
   
   
           0.87789765       0.51298778       0.11017245 
           0.87377371       0.24171683       0.43298891 
           0.13958067       0.46494538       0.18527292 
           0.12388897       0.29201421       0.34649854 
           0.83154308       0.33032699       0.02975254 
           0.92691661       0.41775986       0.50565085 
           0.08613651       0.33996110       0.15224959 
           0.17217716       0.41406191       0.37683645 
           0.82077867       0.54981301       0.52456893 
           0.77854021       0.24440961       0.88088744 
           0.05208773       0.50075587       0.63906395 
           0.03415928       0.20806450       0.77206813 
           0.89271082       0.31200387       0.60828982 
           0.85777114       0.44036151       0.94024995 
           0.15208830       0.32533981       0.72861309 
           0.10803706       0.43465283       0.81846558 
           0.38649252       0.52401662       0.11094599 
           0.37517202       0.24098028       0.43526357 
           0.62656429       0.45986517       0.19315831 
           0.62178021       0.29280136       0.35423896 
           0.33756244       0.33544509       0.03205023 
           0.42037456       0.42913817       0.51070926 
           0.58992330       0.34002104       0.15812853 
           0.67664298       0.45769590       0.40640947 
           0.29278514       0.53820460       0.52661600 
           0.27290619       0.24790260       0.88634090 
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           0.67067556       0.68640725       0.65695154 
           0.65587635       0.68449100       0.58835097 
           0.44802776       0.63427633       0.60720777 
           0.42759494       0.58394877       0.62874377 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      106
       -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  
          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      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      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
           0.00000002
           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
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        0
         0.50000000
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         0.00010000
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        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.75000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     14.00100000
         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
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.21602676
         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  
  
 
 
        36 
         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
    H    2
    H    2
    H    2
    N    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.87789765       0.51298778       0.11017245 
          0.87377371       0.24171683       0.43298891 
          0.13958067       0.46494538       0.18527292 
          0.12388897       0.29201421       0.34649854 
          0.83154308       0.33032699       0.02975254 
          0.92691661       0.41775986       0.50565085 
          0.08613651       0.33996110       0.15224959 
          0.17217716       0.41406191       0.37683645 
          0.82077867       0.54981301       0.52456893 
          0.77854021       0.24440961       0.88088744 
          0.05208773       0.50075587       0.63906395 
          0.03415928       0.20806450       0.77206813 
          0.89271082       0.31200387       0.60828982 
          0.85777114       0.44036151       0.94024995 
          0.15208830       0.32533981       0.72861309 
          0.10803706       0.43465283       0.81846558 
          0.38649252       0.52401662       0.11094599 
          0.37517202       0.24098028       0.43526357 
          0.62656429       0.45986517       0.19315831 
          0.62178021       0.29280136       0.35423896 
          0.33756244       0.33544509       0.03205023 
          0.42037456       0.42913817       0.51070926 
          0.58992330       0.34002104       0.15812853 
          0.67664298       0.45769590       0.40640947 
          0.29278514       0.53820460       0.52661600 
          0.27290619       0.24790260       0.88634090 
          0.58423176       0.52074235       0.65222933 
          0.52584454       0.21027638       0.77693280 
          0.39716013       0.31875501       0.59871232 
          0.35768177       0.44595682       0.94491298 
          0.64328390       0.32693838       0.72962308 
          0.60424397       0.43846461       0.81752971 
          0.67067556       0.68640725       0.65695154 
          0.65587635       0.68449100       0.58835097 
          0.44802776       0.63427633       0.60720777 
          0.42759494       0.58394877       0.62874377 
  
 
 
  
       6.90    6.94
       7.55    7.59
   
         24.83226377 
       8743.18530953 
     -11884.27652564 
       -270.02416403 
       3027.27271826 
      -2465.30175395 
         -0.02327388 
       -194.45133830 
       3600.01477972 
        581.22801548 
        581.25128936 
        581.23577344 
   
  
  
       8.48    8.49
       8.48    8.49
   
        -95.98854824 
        -95.98605879 
        -95.98771843 
   
  
  
       8.19    8.20
       8.19    8.20
   
       -166.38566018 
       -166.40510243 
       -166.39214093 
   
  
  
       8.56    8.57
       8.56    8.57
   
       -169.28702106 
       -169.30713802 
       -169.29372671 
   
  
  
       8.97    8.98
       9.10    9.11
   
       -169.41110113 
       -169.43115586 
       -169.41778604 
   
  
  
       8.17    8.19
       8.73    8.74
   
      -2833.33522335 
      -2833.30819372 
      -2833.32621347 
   
  
  
       7.82    7.83
       8.39    8.40
   
       -123.72837892 
       -123.68619972 
       -123.71431919 
   
  
  
       8.31    8.33
       8.92    8.93
   
       -144.63236339 
       -144.65186161 
       -144.63886279 
   
  
  
       8.25    8.26
       8.80    8.81
   
       -148.38456137 
       -148.38928947 
       -148.38613740 
   
  
  
      10.52   10.53
      11.09   11.10
   
      -2266.28619402 
      -2266.32982723 
      -2266.30073843 
   
  
  
       8.49    8.50
       9.04    9.05
   
       -142.97149959 
       -142.98303252 
       -142.97534390 
   
  
  
       7.73    7.74
       8.28    8.30
   
       -144.93031937 
       -144.92422472 
       -144.92828782 
   
  
  
       8.35    8.36
       8.89    8.90
   
       -153.95961538 
       -153.95156762 
       -153.95693279 
   
  
  
       8.46    8.48
       9.04    9.05
   
       -164.98066641 
       -164.97609854 
       -164.97914379 
   
  
  
       6.92    6.92
       7.49    7.50
   
       -158.03090114 
       -158.00636474 
       -158.02272234 
   
  
  
       7.98    7.99
       8.53    8.55
   
       -168.49130305 
       -168.52719399 
       -168.50326669 
   
  
  
       7.78    7.79
       8.32    8.33
   
       -172.36156329 
       -172.37884206 
       -172.36732288 
   
  
  
       7.87    7.88
       8.42    8.43
   
       -174.35513054 
       -174.35903009 
       -174.35643039 
   
  
  
       7.35    7.36
       7.91    7.91
   
       -176.09256711 
       -176.10445350 
       -176.09652924 
   
  
  
       7.90    7.90
       8.47    8.47
   
       -176.95122980 
       -176.97461360 
       -176.95902440 
   
  
  
       8.02    8.03
       8.58    8.59
   
       -177.21793914 
       -177.24551117 
       -177.22712982 
   
  
  
       7.93    7.94
       8.48    8.49
   
       -177.10095751 
       -177.12962894 
       -177.11051465 
   
  
  
       7.86    7.86
       8.42    8.42
   
       -177.40089566 
       -177.43008431 
       -177.41062521 
   
  
  
       7.55    7.56
       8.12    8.13
   
       -177.96653835 
       -177.99589631 
       -177.97632434 
   
  
  
       8.50    8.51
       9.06    9.07
   
       -412.06722898 
       -412.06948068 
       -412.06797955 
   
  
  
       7.58    7.59
       8.14    8.16
   
       -168.17328554 
       -168.19941768 
       -168.18199626 
   
  
  
       7.74    7.75
       8.31    8.32
   
       -176.83774460 
       -176.86767596 
       -176.84772172 
   
  
  
      10.11   10.12
      10.68   10.70
   
       -576.62578903 
       -576.59267761 
       -576.61475189 
   
  
  
       7.89    7.90
       8.55    8.56
   
       -171.46755477 
       -171.49109015 
       -171.47539990 
   
  
  
       7.92    7.94
       8.48    8.50
   
       -176.33524855 
       -176.36562111 
       -176.34537274 
   
  
  
       8.30    8.31
       8.87    8.88
   
       -177.58323805 
       -177.61293764 
       -177.59313791 
   
  
  
       8.35    8.36
       8.94    8.96
   
       -177.70180308 
       -177.73125497 
       -177.71162037 
   
  
  
       6.23    6.24
       6.90    6.92
   
       -177.72140440 
       -177.75079570 
       -177.73120150 
   
  
  
       6.24    6.24
       6.80    6.81
   
       -177.68750516 
       -177.71686039 
       -177.69729024 
   
  
  
       6.15    6.16
       6.70    6.72
   
       -177.76024037 
       -177.78957025 
       -177.77001699 
   
  
  
       5.48    5.49
       6.02    6.03
   
       -174.91877861 
       -174.94807889 
       -174.92854537 
   
  
  
       3.86    3.87
       4.46    4.47
   
       -177.34823793 
       -177.37757973 
       -177.35801853 
   
  
  
       3.86    3.87
       4.44    4.44
   
       -177.63629757 
       -177.66565973 
       -177.64608496 
   
  
  
       4.12    4.13
       4.68    4.69
   
       -177.74030341 
       -177.76968145 
       -177.75009609 
   
  
  
       4.15    4.16
       4.71    4.72
   
       -177.75949299 
       -177.78889426 
       -177.76929341