vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.58105710       0.59160126       0.45450435 
           0.60660185       0.62323973       0.29353235 
           0.66916115       0.71283993       0.53539266 
           0.42995408       0.64143484       0.50727362 
           0.72215476       0.51260521       0.48600979 
           0.53382528       0.64300739       0.10281493 
           0.42145190       0.56172711       0.21666190 
           0.56468840       0.47480431       0.15310587 
           0.80666495       0.86330205       0.54093198 
           0.80711902       0.76935043       0.38888598 
           0.87737982       0.70012804       0.53824937 
           0.46163425       0.81848808       0.61487884 
           0.29212297       0.77966125       0.56887064 
           0.40762770       0.84161139       0.44625239 
           0.47381032       0.39039153       0.54937393 
           0.59561061       0.34532547       0.44196402 
           0.52699461       0.57260745       0.18697541 
           0.79670907       0.76281712       0.49795582 
           0.39705381       0.77677777       0.53542607 
           0.53067765       0.41892884       0.46903908 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       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
       36
       -1
       -1
        51.00000000
        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
   
   
         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      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
           0.00000007
           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
       50
       50
      100
      100
      100
    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      0.73000000      0.32000000      0.77000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000     14.00100000
         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
        30.00000000
         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  
  
 
 
        20 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.58105710       0.59160126       0.45450435 
          0.60660185       0.62323973       0.29353235 
          0.66916115       0.71283993       0.53539266 
          0.42995408       0.64143484       0.50727362 
          0.72215476       0.51260521       0.48600979 
          0.53382528       0.64300739       0.10281493 
          0.42145190       0.56172711       0.21666190 
          0.56468840       0.47480431       0.15310587 
          0.80666495       0.86330205       0.54093198 
          0.80711902       0.76935043       0.38888598 
          0.87737982       0.70012804       0.53824937 
          0.46163425       0.81848808       0.61487884 
          0.29212297       0.77966125       0.56887064 
          0.40762770       0.84161139       0.44625239 
          0.47381032       0.39039153       0.54937393 
          0.59561061       0.34532547       0.44196402 
          0.52699461       0.57260745       0.18697541 
          0.79670907       0.76281712       0.49795582 
          0.39705381       0.77677777       0.53542607 
          0.53067765       0.41892884       0.46903908 
  
 
 
  
       2.22    2.68
       2.43    2.90
   
          9.70459894 
       1605.14846090 
      -3337.44406932 
        161.26335520 
       1683.87943027 
      -1674.68789537 
          0.00111551 
       -325.08978078 
       2255.45560034 
        378.23081571 
        378.22970019 
        378.23044387 
   
  
  
       4.82    4.86
       4.82    4.86
   
        -14.80794987 
        -14.80217531 
        -14.80602501 
   
  
  
       3.97    3.99
       3.97    3.99
   
       -111.83879230 
       -111.78809862 
       -111.82189441 
   
  
  
       4.24    4.27
       4.24    4.27
   
       -116.21011532 
       -116.15369828 
       -116.19130964 
   
  
  
       4.33    4.36
       4.37    4.40
   
       -116.26175605 
       -116.20533768 
       -116.24294993 
   
  
  
       4.17    4.22
       4.42    4.47
   
       -107.22705038 
       -107.17063385 
       -107.20824487 
   
  
  
       3.98    4.02
       4.22    4.27
   
       -105.85525764 
       -105.79884087 
       -105.83645205 
   
  
  
       4.18    4.22
       4.42    4.46
   
       -105.37236255 
       -105.31594549 
       -105.35355686 
   
  
  
       3.89    3.92
       4.14    4.17
   
       -105.22636498 
       -105.16994950 
       -105.20755982 
   
  
  
       4.04    4.07
       4.26    4.29
   
       -105.19863660 
       -105.14222162 
       -105.17983161 
   
  
  
       3.87    3.91
       4.14    4.18
   
       -105.19415336 
       -105.13773804 
       -105.17534826 
   
  
  
       3.46    3.50
       3.73    3.77
   
       -105.19233131 
       -105.13591603 
       -105.17352622 
   
  
  
       3.41    3.45
       3.74    3.78
   
       -105.19302315 
       -105.13660763 
       -105.17421797 
   
  
  
       3.53    3.57
       3.76    3.80
   
       -105.20199977 
       -105.14558426 
       -105.18319460 
   
  
  
       3.69    3.72
       3.93    3.96
   
       -105.20552903 
       -105.14911354 
       -105.18672386 
   
  
  
       3.57    3.64
       3.83    3.91
   
       -105.20847406 
       -105.15205862 
       -105.18966891 
   
  
  
       3.62    3.65
       3.87    3.90
   
       -105.21178592 
       -105.15537060 
       -105.19298081 
   
  
  
       3.74    3.76
       3.98    4.01
   
       -105.21291327 
       -105.15649806 
       -105.19410820 
   
  
  
       2.32    2.56
       2.59    2.91
   
       -105.21344383 
       -105.15702871 
       -105.19463879 
   
  
  
       0.62    0.74
       0.82    0.95
   
       -105.21357907 
       -105.15716399 
       -105.19477404