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 
    
   
   
           0.60189604       0.63526403       0.46507451 
           0.62164194       0.64485179       0.30028006 
           0.68665848       0.76530260       0.52684641 
           0.44280390       0.65338611       0.51051093 
           0.60486722       0.39770392       0.55289618 
           0.55827359       0.62549854       0.10593960 
           0.43605720       0.57601604       0.22835314 
           0.57669130       0.47043563       0.19381237 
           0.83681750       0.90358278       0.50098860 
           0.81507284       0.79001108       0.36486600 
           0.89376965       0.73476288       0.51638818 
           0.43366830       0.83256087       0.62130690 
           0.27874966       0.76687857       0.55928323 
           0.39257141       0.84870912       0.44765117 
           0.45344554       0.34995443       0.51307534 
           0.57943034       0.28062657       0.43216032 
           0.54383201       0.57541075       0.20324798 
           0.81516506       0.79942187       0.47429290 
           0.38484665       0.78277435       0.53595611 
           0.54604042       0.36749723       0.47516863 
   
  
  
           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 
   
  
  
          0.60189604       0.63526403       0.46507451 
          0.62164194       0.64485179       0.30028006 
          0.68665848       0.76530260       0.52684641 
          0.44280390       0.65338611       0.51051093 
          0.60486722       0.39770392       0.55289618 
          0.55827359       0.62549854       0.10593960 
          0.43605720       0.57601604       0.22835314 
          0.57669130       0.47043563       0.19381237 
          0.83681750       0.90358278       0.50098860 
          0.81507284       0.79001108       0.36486600 
          0.89376965       0.73476288       0.51638818 
          0.43366830       0.83256087       0.62130690 
          0.27874966       0.76687857       0.55928323 
          0.39257141       0.84870912       0.44765117 
          0.45344554       0.34995443       0.51307534 
          0.57943034       0.28062657       0.43216032 
          0.54383201       0.57541075       0.20324798 
          0.81516506       0.79942187       0.47429290 
          0.38484665       0.78277435       0.53595611 
          0.54604042       0.36749723       0.47516863 
  
 
 
  
       2.81    3.10
       3.14    3.43
   
          9.70459894 
       1391.49517956 
      -3125.31682450 
        160.68872520 
       1683.87943027 
      -1674.68789537 
          0.00089175 
       -319.80908188 
       2255.45560034 
        381.41062431 
        381.40973256 
        381.41032706 
   
  
  
       4.89    4.94
       4.89    4.94
   
        -14.97040056 
        -14.96742963 
        -14.96941025 
   
  
  
       4.00    4.04
       4.00    4.04
   
       -112.90274534 
       -112.84969055 
       -112.88506041 
   
  
  
       3.99    4.02
       4.00    4.02
   
       -117.21393103 
       -117.15752062 
       -117.19512756 
   
  
  
       4.48    4.51
       4.54    4.58
   
       -117.34207474 
       -117.28566170 
       -117.32327040 
   
  
  
       3.83    3.87
       4.09    4.13
   
       -107.41548920 
       -107.35910416 
       -107.39669418 
   
  
  
       3.97    4.03
       4.23    4.28
   
       -106.12211138 
       -106.06573402 
       -106.10331893 
   
  
  
       3.99    4.04
       4.23    4.28
   
       -105.62077382 
       -105.56441544 
       -105.60198769 
   
  
  
       4.05    4.09
       4.28    4.32
   
       -105.56237071 
       -105.50602888 
       -105.54359010 
   
  
  
       3.77    3.80
       4.00    4.04
   
       -105.54925347 
       -105.49291811 
       -105.53047501 
   
  
  
       3.82    3.85
       4.06    4.10
   
       -105.54875128 
       -105.49241388 
       -105.52997215 
   
  
  
       3.53    3.57
       3.85    3.90
   
       -105.54804321 
       -105.49170219 
       -105.52926287 
   
  
  
       3.69    3.72
       4.05    4.09
   
       -105.55221525 
       -105.49587492 
       -105.53343514 
   
  
  
       3.56    3.60
       3.84    3.88
   
       -105.55773863 
       -105.50139975 
       -105.53895901 
   
  
  
       3.73    3.76
       4.00    4.03
   
       -105.56354970 
       -105.50721679 
       -105.54477206 
   
  
  
       3.75    3.81
       4.00    4.06
   
       -105.56649988 
       -105.51017082 
       -105.54772352 
   
  
  
       3.65    3.69
       3.87    3.91
   
       -105.56771559 
       -105.51138833 
       -105.54893984 
   
  
  
       3.21    3.25
       3.44    3.48
   
       -105.56809559 
       -105.51176883 
       -105.54932001