vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:18 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.52262943       0.34644430       0.52955241 
           0.56646938       0.36750604       0.56670387 
           0.55204143       0.30863521       0.47687355 
           0.34779208       0.76228472       0.51357970 
           0.31105026       0.70172835       0.59827336 
           0.39683782       0.66606498       0.57814814 
           0.21354187       0.83571105       0.38101571 
           0.24509861       0.86618057       0.50199820 
           0.30415886       0.83557866       0.41283764 
           0.35034475       0.32846434       0.53299119 
           0.36069762       0.33453658       0.39746993 
           0.34592490       0.43218645       0.49610152 
           0.28516340       0.19945252       0.41246129 
           0.28173190       0.23313796       0.53540481 
           0.20041047       0.21974121       0.47006284 
           0.23111711       0.74263102       0.60807255 
           0.18616693       0.64954617       0.57361138 
           0.25715549       0.58850588       0.60395077 
           0.17221405       0.46395003       0.56355055 
           0.14419067       0.40216138       0.46191635 
           0.19289540       0.35081626       0.55969275 
           0.18358490       0.52758055       0.39941799 
           0.29421655       0.51108393       0.41346662 
           0.26058544       0.52365449       0.55855542 
           0.35033220       0.69444063       0.54639934 
           0.24965708       0.82777163       0.43750594 
           0.35024901       0.36130348       0.46850235 
           0.25630101       0.23441826       0.46765250 
           0.21593241       0.67287763       0.62647134 
           0.16103978       0.40157712       0.52897559 
           0.22695020       0.45061549       0.44265101 
           0.25064309       0.62536152       0.43791890 
           0.32522546       0.63619900       0.47868644 
           0.24014029       0.73714387       0.46485214 
           0.29243825       0.45626511       0.58848180 
           0.26564127       0.32963816       0.43243385 
   
  
  
           1 
           2 
           3 
           4 
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           8 
           9 
          10 
          11 
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          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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
       81
       -1
       -1
        87.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        75.00000000
         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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.52262943       0.34644430       0.52955241 
          0.56646938       0.36750604       0.56670387 
          0.55204143       0.30863521       0.47687355 
          0.34779208       0.76228472       0.51357970 
          0.31105026       0.70172835       0.59827336 
          0.39683782       0.66606498       0.57814814 
          0.21354187       0.83571105       0.38101571 
          0.24509861       0.86618057       0.50199820 
          0.30415886       0.83557866       0.41283764 
          0.35034475       0.32846434       0.53299119 
          0.36069762       0.33453658       0.39746993 
          0.34592490       0.43218645       0.49610152 
          0.28516340       0.19945252       0.41246129 
          0.28173190       0.23313796       0.53540481 
          0.20041047       0.21974121       0.47006284 
          0.23111711       0.74263102       0.60807255 
          0.18616693       0.64954617       0.57361138 
          0.25715549       0.58850588       0.60395077 
          0.17221405       0.46395003       0.56355055 
          0.14419067       0.40216138       0.46191635 
          0.19289540       0.35081626       0.55969275 
          0.18358490       0.52758055       0.39941799 
          0.29421655       0.51108393       0.41346662 
          0.26058544       0.52365449       0.55855542 
          0.35033220       0.69444063       0.54639934 
          0.24965708       0.82777163       0.43750594 
          0.35024901       0.36130348       0.46850235 
          0.25630101       0.23441826       0.46765250 
          0.21593241       0.67287763       0.62647134 
          0.16103978       0.40157712       0.52897559 
          0.22695020       0.45061549       0.44265101 
          0.25064309       0.62536152       0.43791890 
          0.32522546       0.63619900       0.47868644 
          0.24014029       0.73714387       0.46485214 
          0.29243825       0.45626511       0.58848180 
          0.26564127       0.32963816       0.43243385 
  
 
 
  
      37.90   37.96
      48.56   48.60
   
          6.34847707 
       6464.93817868 
      -9074.80948596 
        262.95631299 
       2564.72054280 
      -2541.99018201 
         -0.00803304 
       -542.54596301 
       3504.07976474 
        643.68961227 
        643.69764530 
        643.69228995 
   
  
  
      49.22   49.34
      49.22   49.35
   
         95.66676839 
         95.67005700 
         95.66786459 
   
  
  
      44.02   44.18
      44.02   44.19
   
       -127.05735805 
       -127.07282339 
       -127.06251316 
   
  
  
      41.06   41.18
      41.06   41.18
   
       -146.50523132 
       -146.51238775 
       -146.50761680 
   
  
  
      40.27   40.48
      41.78   41.99
   
       -146.88518597 
       -146.89232737 
       -146.88756644 
   
  
  
      36.83   37.04
      48.34   48.53
   
        -64.57174863 
        -64.54529605 
        -64.56293110 
   
  
  
      39.36   39.51
      50.54   50.67
   
        -95.75056983 
        -95.75651972 
        -95.75255313 
   
  
  
      40.05   40.27
      51.73   51.93
   
       -112.30161673 
       -112.24850951 
       -112.28391432 
   
  
  
      38.85   39.00
      51.81   51.94
   
       -133.06866054 
       -133.08155412 
       -133.07295840 
   
  
  
      38.38   38.57
      50.90   51.08
   
       -147.97796322 
       -147.98385067 
       -147.97992571 
   
  
  
      40.29   40.58
      52.39   52.68
   
       -155.13814422 
       -155.14643926 
       -155.14090924 
   
  
  
      35.96   36.15
      47.46   47.65
   
       -161.77748557 
       -161.79066262 
       -161.78187792 
   
  
  
      35.55   35.79
      45.82   46.04
   
       -167.76571875 
       -167.74935610 
       -167.76026453 
   
  
  
      36.45   36.64
      44.44   44.63
   
       -167.04036186 
       -167.02521614 
       -167.03531329 
   
  
  
      38.88   39.13
      45.37   45.62
   
       -167.36277676 
       -167.31917676 
       -167.34824343 
   
  
  
      35.65   35.88
      41.64   41.86
   
       -169.02853388 
       -168.99928349 
       -169.01878375 
   
  
  
      34.70   34.89
      40.67   40.86
   
       -170.48382321 
       -170.48210904 
       -170.48325182 
   
  
  
      34.60   34.81
      40.98   41.19
   
       -171.44187543 
       -171.44163804 
       -171.44179630 
   
  
  
      38.54   38.70
      45.24   45.41
   
       -171.75982876 
       -171.75376705 
       -171.75780819