vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:18 
 
 
  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 
    
   
   
           0.62475620       0.60727425       0.45622745 
           0.63739393       0.63249019       0.29356502 
           0.73609640       0.70522806       0.52630574 
           0.47099149       0.63277892       0.51264079 
           0.64731554       0.46286038       0.49433866 
           0.58498049       0.60932419       0.09654705 
           0.44719439       0.59763274       0.21094893 
           0.56359265       0.46184410       0.19641908 
           0.74502207       0.91183009       0.50464559 
           0.79888120       0.81932777       0.36136566 
           0.90164114       0.82574120       0.50784839 
           0.43234970       0.81735982       0.60258071 
           0.29611308       0.73942985       0.51731650 
           0.42574852       0.81890897       0.42346386 
           0.42182605       0.39576632       0.53399065 
           0.52286528       0.28903995       0.60209817 
           0.55334590       0.57168087       0.19495726 
           0.79829497       0.82155918       0.47120622 
           0.40379807       0.75959855       0.51357064 
           0.49009218       0.32097355       0.50806205 
   
  
  
           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 
   
  
  
          0.62475620       0.60727425       0.45622745 
          0.63739393       0.63249019       0.29356502 
          0.73609640       0.70522806       0.52630574 
          0.47099149       0.63277892       0.51264079 
          0.64731554       0.46286038       0.49433866 
          0.58498049       0.60932419       0.09654705 
          0.44719439       0.59763274       0.21094893 
          0.56359265       0.46184410       0.19641908 
          0.74502207       0.91183009       0.50464559 
          0.79888120       0.81932777       0.36136566 
          0.90164114       0.82574120       0.50784839 
          0.43234970       0.81735982       0.60258071 
          0.29611308       0.73942985       0.51731650 
          0.42574852       0.81890897       0.42346386 
          0.42182605       0.39576632       0.53399065 
          0.52286528       0.28903995       0.60209817 
          0.55334590       0.57168087       0.19495726 
          0.79829497       0.82155918       0.47120622 
          0.40379807       0.75959855       0.51357064 
          0.49009218       0.32097355       0.50806205 
  
 
 
  
   
   
   
          9.70459894 
       1345.49830440 
      -3086.66385174 
        160.15137866 
       1683.87943027 
      -1674.68789537 
         -0.00505690 
       -321.00043003 
       2255.45560034 
        372.33207858 
        372.33713548 
        372.33376421 
   
  
  
   
   
   
        -14.23416760 
        -14.22707504 
        -14.23180341 
   
  
  
   
   
   
       -110.58893567 
       -110.53877174 
       -110.57221436 
   
  
  
   
   
   
       -115.01063382 
       -114.95423021 
       -114.99183261 
   
  
  
   
   
   
       -115.07573272 
       -115.01931514 
       -115.05692686 
   
  
  
   
   
   
       -106.41199940 
       -106.35558166 
       -106.39319348 
   
  
  
   
   
   
       -105.02778072 
       -104.97136285 
       -105.00897476 
   
  
  
   
   
   
       -104.63272583 
       -104.57630792 
       -104.61391986 
   
  
  
   
   
   
       -104.57612574 
       -104.51970783 
       -104.55731977 
   
  
  
   
   
   
       -104.56740903 
       -104.51099112 
       -104.54860306 
   
  
  
   
   
   
       -104.56868964 
       -104.51227173 
       -104.54988367 
   
  
  
   
   
   
       -104.56865030 
       -104.51223239 
       -104.54984433 
   
  
  
   
   
   
       -104.57209421 
       -104.51567629 
       -104.55328824 
   
  
  
   
   
   
       -104.57911026 
       -104.52269233 
       -104.56030428 
   
  
  
   
   
   
       -104.58229584 
       -104.52587790 
       -104.56348986 
   
  
  
   
   
   
       -104.58536025 
       -104.52894232 
       -104.56655427 
   
  
  
   
   
   
       -104.58614082 
       -104.52972289 
       -104.56733484 
   
  
  
   
   
   
       -104.58647347 
       -104.53005554 
       -104.56766749