vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 06 
  13:13:12 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.32000000
       -0.00200000     -0.00100000      0.00100000      0.00000000      0.00000000      0.00100000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.44986192       0.33845507       0.54723346 
           0.18785717       0.43994769       0.42296954 
           0.39300505       0.64077680       0.52956894 
           0.44958033       0.48631971       0.27062179 
           0.72583261       0.48236521       0.58923029 
           0.70577033       0.23651808       0.40278931 
           0.37266088       0.47603701       0.44266125 
           0.63746650       0.31890817       0.55790344 
           0.41120696       0.35088058       0.65002024 
           0.40919140       0.24187702       0.51198411 
           0.66764264       0.22835675       0.67402185 
           0.17192172       0.34237394       0.37437268 
           0.13889224       0.51676966       0.36117242 
           0.13694869       0.43772340       0.52052607 
           0.36976431       0.72744187       0.47475106 
           0.57848882       0.74521267       0.54315075 
           0.36670818       0.64390668       0.63409332 
           0.39665757       0.56090593       0.20924972 
           0.44347546       0.38975340       0.21810131 
           0.55556122       0.51572009       0.27446466 
           0.71028816       0.55347740       0.50672052 
           0.83422793       0.46616134       0.59936868 
           0.69037545       0.53026012       0.68171373 
           0.81480147       0.22354383       0.41091104 
           0.68568004       0.29595218       0.31240777 
           0.66138663       0.13686714       0.38805357 
           0.70737617       0.90374613       0.55004550 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
  
 
 
  
          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
       40
       -1
       -1
        51.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00200000     -0.00100000      0.00100000      0.00000000      0.00000000      0.00100000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000006
           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
       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
         0.77000000      1.11000000      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  
        12.01100000     28.08500000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        22.22222222
         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  
  
 
 
        27 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   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
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      19H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          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 
   
  
  
          0.44986192       0.33845507       0.54723346 
          0.18785717       0.43994769       0.42296954 
          0.39300505       0.64077680       0.52956894 
          0.44958033       0.48631971       0.27062179 
          0.72583261       0.48236521       0.58923029 
          0.70577033       0.23651808       0.40278931 
          0.37266088       0.47603701       0.44266125 
          0.63746650       0.31890817       0.55790344 
          0.41120696       0.35088058       0.65002024 
          0.40919140       0.24187702       0.51198411 
          0.66764264       0.22835675       0.67402185 
          0.17192172       0.34237394       0.37437268 
          0.13889224       0.51676966       0.36117242 
          0.13694869       0.43772340       0.52052607 
          0.36976431       0.72744187       0.47475106 
          0.57848882       0.74521267       0.54315075 
          0.36670818       0.64390668       0.63409332 
          0.39665757       0.56090593       0.20924972 
          0.44347546       0.38975340       0.21810131 
          0.55556122       0.51572009       0.27446466 
          0.71028816       0.55347740       0.50672052 
          0.83422793       0.46616134       0.59936868 
          0.69037545       0.53026012       0.68171373 
          0.81480147       0.22354383       0.41091104 
          0.68568004       0.29595218       0.31240777 
          0.66138663       0.13686714       0.38805357 
          0.70737617       0.90374613       0.55004550 
  
 
 
  
       8.43    8.55
       8.66    8.77
   
          9.50327992 
       1049.53001391 
      -1949.64116229 
        102.28950024 
        867.92310589 
       -836.32164448 
         -0.00830652 
       -316.97411556 
       1325.98885632 
        252.28952743 
        252.29783395 
        252.29229627 
   
  
  
       9.86    9.88
       9.86    9.88
   
        -79.54614088 
        -79.53677799 
        -79.54301992 
   
  
  
       9.53    9.54
       9.53    9.54
   
       -144.23796834 
       -144.22981041 
       -144.23524903 
   
  
  
       9.63    9.66
       9.63    9.66
   
       -147.72550985 
       -147.71303210 
       -147.72135060 
   
  
  
       9.93    9.95
       9.98   10.00
   
       -147.84115536 
       -147.82864917 
       -147.83698663 
   
  
  
       9.07    9.10
       9.36    9.38
   
       -132.56953341 
       -132.57534464 
       -132.57147048 
   
  
  
       9.49    9.52
       9.78    9.81
   
       -130.32850922 
       -130.33561384 
       -130.33087743