vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 08 31 
  21:06:50 
 
 
  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
 
 
  
   
    
            9.98333296       0.00000000       0.00000000 
            0.00000000       9.74296667       0.00000000 
            0.00000000       0.00000000       9.76561037 
    
        949.87436101 
    
            0.10016695       0.00000000       0.00000000 
            0.00000000       0.10263814       0.00000000 
            0.00000000       0.00000000       0.10240015 
    
   
   
           0.54407131       0.64917898       0.52753086 
           0.63525325       0.77058882       0.27520769 
           0.55828962       0.47841741       0.54238965 
           0.47952214       0.56771026       0.29859028 
           0.38316193       0.68692974       0.55778588 
           0.54276084       0.80486664       0.36632417 
           0.64507834       0.78890601       0.60759052 
           0.58377315       0.64860070       0.35238893 
           0.35002228       0.80304171       0.50598842 
           0.64720313       0.89404257       0.59365877 
           0.40675837       0.89442441       0.52957078 
           0.65875166       0.64572053       0.05447410 
           0.60974383       0.77699478       0.70691226 
           0.74435722       0.73897950       0.57610096 
           0.65333707       0.64783167       0.97842671 
           0.81996781       0.44231439       0.36506648 
           0.87382618       0.39670393       0.33886671 
           0.48460167       0.43648074       0.58915664 
           0.24697265       0.82289959       0.48043874 
           0.07973771       0.60714085       0.64673170 
           0.08133323       0.64925812       0.58508820 
           0.50984740       0.47873379       0.33329762 
   
  
  
           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
        25.90566439
         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                   
   
  
 
 
  
   
           9.98333296       0.00000000       0.00000000 
           0.00000000       9.74296667       0.00000000 
           0.00000000       0.00000000       9.76561037 
   
       949.87436101 
   
           0.10016695       0.00000000       0.00000000 
           0.00000000       0.10263814       0.00000000 
           0.00000000       0.00000000       0.10240015 
   
  
  
          0.54407131       0.64917898       0.52753086 
          0.63525325       0.77058882       0.27520769 
          0.55828962       0.47841741       0.54238965 
          0.47952214       0.56771026       0.29859028 
          0.38316193       0.68692974       0.55778588 
          0.54276084       0.80486664       0.36632417 
          0.64507834       0.78890601       0.60759052 
          0.58377315       0.64860070       0.35238893 
          0.35002228       0.80304171       0.50598842 
          0.64720313       0.89404257       0.59365877 
          0.40675837       0.89442441       0.52957078 
          0.65875166       0.64572053       0.05447410 
          0.60974383       0.77699478       0.70691226 
          0.74435722       0.73897950       0.57610096 
          0.65333707       0.64783167       0.97842671 
          0.81996781       0.44231439       0.36506648 
          0.87382618       0.39670393       0.33886671 
          0.48460167       0.43648074       0.58915664 
          0.24697265       0.82289959       0.48043874 
          0.07973771       0.60714085       0.64673170 
          0.08133323       0.64925812       0.58508820 
          0.50984740       0.47873379       0.33329762 
  
 
 
  
       4.43    4.52
       4.52    4.62
   
         12.89384404 
       1754.03501524 
      -3762.03949855 
        183.93983205 
       1936.15224937 
      -1928.14668463 
         -0.02552822 
       -362.87687402 
       2582.84965050 
        416.78200578 
        416.80753400 
        416.79051518 
   
  
  
       5.96    5.97
       5.96    5.97
   
        -13.08402426 
        -13.07000868 
        -13.07935240 
   
  
  
       5.17    5.18
       5.17    5.18
   
       -115.10732448 
       -115.07780360 
       -115.09748419 
   
  
  
       5.41    5.42
       5.41    5.42
   
       -118.83140010 
       -118.77502337 
       -118.81260785 
   
  
  
       5.29    5.29
       5.32    5.32
   
       -118.89277745 
       -118.83636085 
       -118.87397191 
   
  
  
       4.72    4.73
       4.84    4.85
   
       -109.74383756 
       -109.68745389 
       -109.72504301 
   
  
  
       5.47    5.48
       5.60    5.61
   
       -108.32723348 
       -108.27082620 
       -108.30843105 
   
  
  
       5.30    5.31
       5.43    5.44
   
       -107.83696352 
       -107.78058694 
       -107.81817133 
   
  
  
       5.47    5.47
       5.61    5.61
   
       -107.72662968 
       -107.67025302 
       -107.70783746 
   
  
  
       5.31    5.32
       5.44    5.44
   
       -107.71325364 
       -107.65687595 
       -107.69446107