vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 08 31 
  21:06:51 
 
 
  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
 
 
  
   
    
            9.98232284       0.00000000       0.00000000 
            0.00000000       9.72738889       0.00000000 
            0.00000000       0.00000000       9.75140494 
    
        946.88030122 
    
            0.10017708       0.00000000       0.00000000 
            0.00000000       0.10280251       0.00000000 
            0.00000000       0.00000000       0.10254933 
    
   
   
           0.52376369       0.59185457       0.50365882 
           0.58826854       0.78189617       0.31087432 
           0.56783746       0.43423859       0.54654868 
           0.46757450       0.54817624       0.33977928 
           0.42731082       0.64822739       0.61650798 
           0.52384072       0.83828083       0.44575965 
           0.62733501       0.82641530       0.56132308 
           0.62997284       0.66241102       0.34508453 
           0.38972845       0.86043094       0.46236913 
           0.65589113       0.92909771       0.59930965 
           0.39800659       0.91397268       0.56008961 
           0.65932106       0.64434980       0.05214448 
           0.56933144       0.79545720       0.65716911 
           0.71380772       0.72575840       0.54596596 
           0.65626331       0.63826417       0.97610067 
           0.82376835       0.43098557       0.36981045 
           0.87586522       0.39064704       0.33391550 
           0.47483587       0.41225798       0.56769692 
           0.28617133       0.84259965       0.43446610 
           0.07761783       0.60831188       0.64573971 
           0.10156178       0.65285137       0.59124342 
           0.50029714       0.45328064       0.34602905 
   
  
  
           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
        25.82400822
         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                   
   
  
 
 
  
   
           9.98232284       0.00000000       0.00000000 
           0.00000000       9.72738889       0.00000000 
           0.00000000       0.00000000       9.75140494 
   
       946.88030122 
   
           0.10017708       0.00000000       0.00000000 
           0.00000000       0.10280251       0.00000000 
           0.00000000       0.00000000       0.10254933 
   
  
  
          0.52376369       0.59185457       0.50365882 
          0.58826854       0.78189617       0.31087432 
          0.56783746       0.43423859       0.54654868 
          0.46757450       0.54817624       0.33977928 
          0.42731082       0.64822739       0.61650798 
          0.52384072       0.83828083       0.44575965 
          0.62733501       0.82641530       0.56132308 
          0.62997284       0.66241102       0.34508453 
          0.38972845       0.86043094       0.46236913 
          0.65589113       0.92909771       0.59930965 
          0.39800659       0.91397268       0.56008961 
          0.65932106       0.64434980       0.05214448 
          0.56933144       0.79545720       0.65716911 
          0.71380772       0.72575840       0.54596596 
          0.65626331       0.63826417       0.97610067 
          0.82376835       0.43098557       0.36981045 
          0.87586522       0.39064704       0.33391550 
          0.47483587       0.41225798       0.56769692 
          0.28617133       0.84259965       0.43446610 
          0.07761783       0.60831188       0.64573971 
          0.10156178       0.65285137       0.59124342 
          0.50029714       0.45328064       0.34602905 
  
 
 
  
       4.59    4.73
       4.68    4.82
   
         12.93461471 
       1659.60405859 
      -3685.22063405 
        182.62726935 
       1936.15224937 
      -1928.14668463 
         -0.01528230 
       -336.71357902 
       2582.84965050 
        424.07166251 
        424.08694482 
        424.07675661 
   
  
  
       5.96    5.97
       5.96    5.97
   
        -11.61985816 
        -11.59347198 
        -11.61106277 
   
  
  
       5.00    5.00
       5.00    5.00
   
       -115.69718144 
       -115.64324092 
       -115.67920127 
   
  
  
       5.37    5.37
       5.37    5.37
   
       -119.77147665 
       -119.71506507 
       -119.75267279 
   
  
  
       5.26    5.26
       5.29    5.29
   
       -119.84733249 
       -119.79091822 
       -119.82852773 
   
  
  
       4.82    4.82
       4.94    4.94
   
       -109.96905082 
       -109.93277056 
       -109.95695740 
   
  
  
       5.25    5.26
       5.39    5.39
   
       -109.19858052 
       -109.14217981 
       -109.17978028 
   
  
  
       5.44    5.44
       5.57    5.58
   
       -108.11877647 
       -108.06242100 
       -108.09999132 
   
  
  
       5.25    5.26
       5.38    5.39
   
       -108.00354617 
       -107.96997635 
       -107.99235623 
   
  
  
       5.20    5.21
       5.33    5.34
   
       -107.98763003 
       -107.93124030 
       -107.96883346