vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 08 31 
  21:06:52 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.98030259       0.00000000       0.00000000 
            0.00000000       9.69623333       0.00000000 
            0.00000000       0.00000000       9.72299407 
    
        940.90719041 
    
            0.10019736       0.00000000       0.00000000 
            0.00000000       0.10313283       0.00000000 
            0.00000000       0.00000000       0.10284898 
    
   
   
           0.53721398       0.58135564       0.49029572 
           0.66381371       0.75249931       0.28485297 
           0.57693403       0.41531000       0.51709325 
           0.40759994       0.52799189       0.39474089 
           0.49235825       0.64823915       0.63561079 
           0.47004437       0.87212147       0.46298115 
           0.55813109       0.90536837       0.56334871 
           0.66460945       0.69609276       0.39638612 
           0.35313791       0.85859193       0.41099314 
           0.65651385       0.94919577       0.58018902 
           0.47412459       0.93884213       0.62531061 
           0.65975805       0.64340576       0.04951654 
           0.53529892       0.73450529       0.66949297 
           0.74493698       0.69285713       0.48371933 
           0.65886175       0.62990297       0.97400718 
           0.82728291       0.42137494       0.37395211 
           0.87709487       0.38599266       0.32969918 
           0.40416452       0.44762846       0.47429003 
           0.24947703       0.85693648       0.43742041 
           0.07849484       0.61053136       0.64387557 
           0.11621727       0.65470909       0.59732959 
           0.53230248       0.40631261       0.41648080 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          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 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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
       40
       -1
       -1
        57.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000006
           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
       48
       48
      100
       96
       96
    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      0.77000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        25.66110519
         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
       60
        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  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           9.98030259       0.00000000       0.00000000 
           0.00000000       9.69623333       0.00000000 
           0.00000000       0.00000000       9.72299407 
   
       940.90719041 
   
           0.10019736       0.00000000       0.00000000 
           0.00000000       0.10313283       0.00000000 
           0.00000000       0.00000000       0.10284898 
   
  
  
          0.53721398       0.58135564       0.49029572 
          0.66381371       0.75249931       0.28485297 
          0.57693403       0.41531000       0.51709325 
          0.40759994       0.52799189       0.39474089 
          0.49235825       0.64823915       0.63561079 
          0.47004437       0.87212147       0.46298115 
          0.55813109       0.90536837       0.56334871 
          0.66460945       0.69609276       0.39638612 
          0.35313791       0.85859193       0.41099314 
          0.65651385       0.94919577       0.58018902 
          0.47412459       0.93884213       0.62531061 
          0.65975805       0.64340576       0.04951654 
          0.53529892       0.73450529       0.66949297 
          0.74493698       0.69285713       0.48371933 
          0.65886175       0.62990297       0.97400718 
          0.82728291       0.42137494       0.37395211 
          0.87709487       0.38599266       0.32969918 
          0.40416452       0.44762846       0.47429003 
          0.24947703       0.85693648       0.43742041 
          0.07849484       0.61053136       0.64387557 
          0.11621727       0.65470909       0.59732959 
          0.53230248       0.40631261       0.41648080 
  
 
 
  
       4.80    4.86
       4.89    4.95
   
         13.01672683 
       1329.68298359 
      -3350.54355400 
        181.93820615 
       1936.15224937 
      -1928.14668463 
          0.00683560 
       -363.23011983 
       2582.84965050 
        401.72629357 
        401.71945797 
        401.72401504 
   
  
  
       5.92    5.93
       5.93    5.93
   
        -17.26899608 
        -17.25997936 
        -17.26599051 
   
  
  
       5.18    5.19
       5.18    5.19
   
       -117.15498559 
       -117.11567653 
       -117.14188257 
   
  
  
       5.35    5.37
       5.35    5.37
   
       -120.74956266 
       -120.69611521 
       -120.73174685 
   
  
  
       5.32    5.33
       5.35    5.36
   
       -120.81434382 
       -120.76083543 
       -120.79650769 
   
  
  
       4.82    4.83
       4.94    4.95
   
       -111.04909944 
       -110.99280479 
       -111.03033456 
   
  
  
       5.36    5.37
       5.49    5.50
   
       -109.59001032 
       -109.53359440 
       -109.57120502 
   
  
  
       5.22    5.22
       5.34    5.35
   
       -109.22728493 
       -109.17087108 
       -109.20848032 
   
  
  
       5.48    5.48
       5.60    5.61
   
       -109.18968639 
       -109.13327291 
       -109.17088190 
   
  
  
       5.26    5.26
       5.39    5.39
   
       -109.18428557 
       -109.12787227 
       -109.16548114