vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:17 
 
 
  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 
    
   
   
           0.57121390       0.34891558       0.52023584 
           0.61121644       0.36316473       0.56196693 
           0.59742533       0.30381234       0.48035136 
           0.34478389       0.79395726       0.58251172 
           0.27227733       0.72391184       0.63282637 
           0.35115148       0.67370616       0.61960660 
           0.25217251       0.78497731       0.37042001 
           0.23451498       0.85520490       0.47082483 
           0.32007767       0.84644866       0.42195118 
           0.27950619       0.34594514       0.58070380 
           0.34243346       0.33291339       0.52168662 
           0.32605829       0.44295670       0.56774156 
           0.31238937       0.20493590       0.44360865 
           0.25364141       0.25054824       0.52684453 
           0.21699304       0.21128756       0.41973841 
           0.20013961       0.72617839       0.57995707 
           0.16578810       0.65707345       0.49936542 
           0.21258429       0.58311682       0.58537003 
           0.16037458       0.46770511       0.50752999 
           0.16014441       0.40921254       0.38910808 
           0.17610973       0.35042024       0.50287780 
           0.23439726       0.51737325       0.36316994 
           0.32664891       0.50705548       0.45855447 
           0.25765845       0.56662125       0.52822330 
           0.32066722       0.73119059       0.60550913 
           0.27087573       0.81302290       0.43454567 
           0.34884099       0.40696329       0.51237861 
           0.26300750       0.24024560       0.45134073 
           0.17053586       0.66222035       0.57462777 
           0.17026549       0.41130189       0.46534323 
           0.25687194       0.43290953       0.43877992 
           0.26815092       0.63052405       0.41390410 
           0.32531510       0.57432557       0.53806744 
           0.29103491       0.73067518       0.48378965 
           0.24745575       0.40223867       0.61102413 
           0.27784732       0.32213466       0.40175485 
   
  
  
           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 
  
 
 
  
          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 
   
  
  
          0.57121390       0.34891558       0.52023584 
          0.61121644       0.36316473       0.56196693 
          0.59742533       0.30381234       0.48035136 
          0.34478389       0.79395726       0.58251172 
          0.27227733       0.72391184       0.63282637 
          0.35115148       0.67370616       0.61960660 
          0.25217251       0.78497731       0.37042001 
          0.23451498       0.85520490       0.47082483 
          0.32007767       0.84644866       0.42195118 
          0.27950619       0.34594514       0.58070380 
          0.34243346       0.33291339       0.52168662 
          0.32605829       0.44295670       0.56774156 
          0.31238937       0.20493590       0.44360865 
          0.25364141       0.25054824       0.52684453 
          0.21699304       0.21128756       0.41973841 
          0.20013961       0.72617839       0.57995707 
          0.16578810       0.65707345       0.49936542 
          0.21258429       0.58311682       0.58537003 
          0.16037458       0.46770511       0.50752999 
          0.16014441       0.40921254       0.38910808 
          0.17610973       0.35042024       0.50287780 
          0.23439726       0.51737325       0.36316994 
          0.32664891       0.50705548       0.45855447 
          0.25765845       0.56662125       0.52822330 
          0.32066722       0.73119059       0.60550913 
          0.27087573       0.81302290       0.43454567 
          0.34884099       0.40696329       0.51237861 
          0.26300750       0.24024560       0.45134073 
          0.17053586       0.66222035       0.57462777 
          0.17026549       0.41130189       0.46534323 
          0.25687194       0.43290953       0.43877992 
          0.26815092       0.63052405       0.41390410 
          0.32531510       0.57432557       0.53806744 
          0.29103491       0.73067518       0.48378965 
          0.24745575       0.40223867       0.61102413 
          0.27784732       0.32213466       0.40175485 
  
 
 
  
      36.32   36.36
      46.37   46.40
   
          6.34847707 
       6194.03759286 
      -8823.96661837 
        261.70493165 
       2564.72054280 
      -2541.99018201 
          0.00238387 
       -525.61035040 
       3504.07976474 
        639.32654221 
        639.32415834 
        639.32574759 
   
  
  
      47.35   47.51
      47.35   47.51
   
         99.34401767 
         99.32167545 
         99.33657026 
   
  
  
      41.87   41.99
      41.87   41.99
   
       -122.90740968 
       -122.92900150 
       -122.91460696 
   
  
  
      39.57   39.79
      39.58   39.79
   
       -143.52615752 
       -143.50810880 
       -143.52014128 
   
  
  
      39.54   39.71
      40.93   41.09
   
       -143.95937366 
       -143.93402926 
       -143.95092553 
   
  
  
      32.97   33.09
      41.96   42.08
   
        -64.46002753 
        -64.43778484 
        -64.45261330 
   
  
  
      36.14   36.33
      44.04   44.22
   
        -95.30484357 
        -95.31462825 
        -95.30810513 
   
  
  
      35.09   35.28
      41.74   41.94
   
       -106.92244302 
       -106.90040872 
       -106.91509825 
   
  
  
      35.27   35.41
      41.44   41.57
   
       -127.62583846 
       -127.61927894 
       -127.62365195 
   
  
  
      36.22   36.39
      44.30   44.46
   
       -130.87986972 
       -130.84995301 
       -130.86989748 
   
  
  
      37.44   37.61
      49.41   49.56
   
       -138.00557487 
       -137.99769121 
       -138.00294698 
   
  
  
      36.43   36.63
      47.37   47.56
   
       -144.11631962 
       -144.14018107 
       -144.12427344 
   
  
  
      36.04   36.26
      46.47   46.67
   
       -152.22262753 
       -152.23986813 
       -152.22837440 
   
  
  
      37.11   37.30
      45.07   45.25
   
       -157.70878942 
       -157.72221977 
       -157.71326620 
   
  
  
      32.89   33.10
      39.00   39.21
   
       -162.34355518 
       -162.35697601 
       -162.34802879 
   
  
  
      33.42   33.60
      40.38   40.56
   
       -164.49029442 
       -164.51036667 
       -164.49698517 
   
  
  
      34.99   35.16
      40.83   40.99
   
       -165.95188493 
       -165.98512690 
       -165.96296559 
   
  
  
      36.31   36.54
      42.95   43.18
   
       -166.68698922 
       -166.72346975 
       -166.69914940 
   
  
  
      36.58   36.77
      43.90   44.09
   
       -167.20862207 
       -167.23839118 
       -167.21854511 
   
  
  
      36.65   36.81
      46.56   46.72
   
       -167.47237172 
       -167.47900528 
       -167.47458291