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 
    
   
   
           0.60955375       0.65413502       0.46030173 
           0.62454362       0.66179087       0.29451641 
           0.69569832       0.78405221       0.51846805 
           0.45366781       0.66546342       0.51398116 
           0.59475998       0.36493030       0.47297738 
           0.55668138       0.63334805       0.10421675 
           0.43839609       0.58555811       0.23081566 
           0.58137042       0.48177569       0.19629407 
           0.84745762       0.92039653       0.50444297 
           0.83624604       0.80999994       0.36109668 
           0.90156187       0.74907282       0.52035012 
           0.42647157       0.84193937       0.62420123 
           0.27811335       0.76136219       0.56162067 
           0.38499218       0.85351199       0.44941160 
           0.44079113       0.33416468       0.51135661 
           0.55405300       0.21634662       0.52585771 
           0.54517196       0.58562938       0.20250636 
           0.82823425       0.81644717       0.47162568 
           0.38261126       0.78792637       0.53853980 
           0.52192357       0.29279806       0.46551779 
   
  
  
           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 
   
  
  
          0.60955375       0.65413502       0.46030173 
          0.62454362       0.66179087       0.29451641 
          0.69569832       0.78405221       0.51846805 
          0.45366781       0.66546342       0.51398116 
          0.59475998       0.36493030       0.47297738 
          0.55668138       0.63334805       0.10421675 
          0.43839609       0.58555811       0.23081566 
          0.58137042       0.48177569       0.19629407 
          0.84745762       0.92039653       0.50444297 
          0.83624604       0.80999994       0.36109668 
          0.90156187       0.74907282       0.52035012 
          0.42647157       0.84193937       0.62420123 
          0.27811335       0.76136219       0.56162067 
          0.38499218       0.85351199       0.44941160 
          0.44079113       0.33416468       0.51135661 
          0.55405300       0.21634662       0.52585771 
          0.54517196       0.58562938       0.20250636 
          0.82823425       0.81644717       0.47162568 
          0.38261126       0.78792637       0.53853980 
          0.52192357       0.29279806       0.46551779 
  
 
 
  
       2.80    3.02
       3.18    3.40
   
          9.70459894 
       1251.06252220 
      -2987.66228936 
        160.29302726 
       1683.87943027 
      -1674.68789537 
          0.00415819 
       -322.53151002 
       2255.45560034 
        375.51764245 
        375.51348426 
        375.51625639 
   
  
  
       4.71    4.75
       4.71    4.75
   
        -13.47803441 
        -13.47732756 
        -13.47779879 
   
  
  
       3.97    4.00
       3.97    4.00
   
       -112.60633253 
       -112.55482719 
       -112.58916408 
   
  
  
       4.05    4.08
       4.05    4.08
   
       -117.25805612 
       -117.20168125 
       -117.23926450 
   
  
  
       4.47    4.52
       4.52    4.56
   
       -117.37500462 
       -117.31858923 
       -117.35619949 
   
  
  
       3.75    3.79
       4.03    4.07
   
       -107.29070377 
       -107.23430098 
       -107.27190284 
   
  
  
       3.99    4.02
       4.22    4.25
   
       -106.07956486 
       -106.02315594 
       -106.06076189 
   
  
  
       3.99    4.04
       4.23    4.28
   
       -105.64056797 
       -105.58416016 
       -105.62176537 
   
  
  
       4.06    4.09
       4.30    4.33
   
       -105.58952579 
       -105.53312065 
       -105.57072407 
   
  
  
       3.84    3.88
       4.08    4.12
   
       -105.58207300 
       -105.52566883 
       -105.56327161 
   
  
  
       3.85    3.88
       4.12    4.15
   
       -105.58215493 
       -105.52575037 
       -105.56335341 
   
  
  
       3.50    3.54
       3.83    3.87
   
       -105.58377952 
       -105.52737488 
       -105.56497797 
   
  
  
       3.55    3.58
       3.90    3.93
   
       -105.58763910 
       -105.53123487 
       -105.56883769 
   
  
  
       3.50    3.53
       3.75    3.78
   
       -105.59338458 
       -105.53698090 
       -105.57458336 
   
  
  
       3.68    3.73
       3.93    3.97
   
       -105.59716715 
       -105.54076416 
       -105.57836615 
   
  
  
       3.64    3.68
       3.87    3.91
   
       -105.59988211 
       -105.54347955 
       -105.58108125 
   
  
  
       3.75    3.77
       4.00    4.03
   
       -105.60081954 
       -105.54441707 
       -105.58201872 
   
  
  
       3.26    3.30
       3.53    3.58
   
       -105.60110695 
       -105.54470446 
       -105.58230612