vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 28 
  21:06:00 
 
 
  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      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1200.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.31465125       0.48064613       0.56366260 
           0.34668491       0.62721444       0.53835388 
           0.39725449       0.52970883       0.74875101 
           0.29345619       0.35091391       0.72341639 
           0.20800484       0.55673645       0.78076796 
           0.21883985       0.63221587       0.53835609 
           0.70344202       0.51305250       0.81223279 
           0.31726193       0.27896180       0.60472371 
           0.22765972       0.65182665       0.98199624 
           0.13892138       0.47411782       0.52739802 
           0.14933532       0.74009218       0.65217971 
           0.24235888       0.70092815       0.38589768 
           0.48735150       0.35279692       0.89077081 
           0.59919224       0.51618186       0.90058981 
           0.48849860       0.60344243       0.97836502 
           0.25644505       0.19686361       0.60792952 
           0.30541935       0.34554738       0.51371425 
           0.40812213       0.25059157       0.61812297 
           0.35690270       0.61974332       0.10800355 
           0.21410800       0.88865982       0.95559015 
           0.09391593       0.53507545       0.08197823 
           0.72915154       0.67377119       0.78204968 
   
  
  
           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 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          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
       42
       -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  
   
   
       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
   
  
  
       60
       50
       50
      120
      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      0.77000000      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
  
  
        3
        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
        32.72727273
         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  
  
 
 
        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                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1200.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.31465125       0.48064613       0.56366260 
          0.34668491       0.62721444       0.53835388 
          0.39725449       0.52970883       0.74875101 
          0.29345619       0.35091391       0.72341639 
          0.20800484       0.55673645       0.78076796 
          0.21883985       0.63221587       0.53835609 
          0.70344202       0.51305250       0.81223279 
          0.31726193       0.27896180       0.60472371 
          0.22765972       0.65182665       0.98199624 
          0.13892138       0.47411782       0.52739802 
          0.14933532       0.74009218       0.65217971 
          0.24235888       0.70092815       0.38589768 
          0.48735150       0.35279692       0.89077081 
          0.59919224       0.51618186       0.90058981 
          0.48849860       0.60344243       0.97836502 
          0.25644505       0.19686361       0.60792952 
          0.30541935       0.34554738       0.51371425 
          0.40812213       0.25059157       0.61812297 
          0.35690270       0.61974332       0.10800355 
          0.21410800       0.88865982       0.95559015 
          0.09391593       0.53507545       0.08197823 
          0.72915154       0.67377119       0.78204968 
  
 
 
  
       1.67    1.69
       1.87    1.89
   
         10.20627656 
       1344.62905984 
      -3453.52568179 
        174.38805193 
       1936.15224937 
      -1928.14668463 
         -0.00161276 
       -279.52172514 
       2582.84965050 
        387.02958388 
        387.03119664 
        387.03012147 
   
  
  
       2.27    2.28
       2.27    2.28
   
         33.88819482 
         33.90764321 
         33.89467761 
   
  
  
       2.01    2.03
       2.01    2.03
   
        -68.34898744 
        -68.31473433 
        -68.33756974 
   
  
  
       1.94    1.95
       1.94    1.96
   
        -78.07285655 
        -78.04384911 
        -78.06318740 
   
  
  
       2.06    2.08
       2.11    2.12
   
        -78.45578745 
        -78.42699338 
        -78.44618942 
   
  
  
       1.72    1.74
       1.95    1.97
   
        -94.52574879 
        -94.47770943 
        -94.50973567 
   
  
  
       1.70    1.71
       1.93    1.95
   
        -70.56985355 
        -70.51869455 
        -70.55280055 
   
  
  
       1.74    1.76
       1.98    2.00
   
        -69.57247547 
        -69.56144068 
        -69.56879721 
   
  
  
       1.92    1.95
       2.15    2.18
   
        -69.06678050 
        -69.07610058 
        -69.06988719 
   
  
  
       1.85    1.89
       2.08    2.11
   
        -68.91733638 
        -68.94273208 
        -68.92580161 
   
  
  
       2.14    2.16
       2.35    2.38
   
        -69.14018094 
        -69.16418742 
        -69.14818310 
   
  
  
       2.40    2.42
       2.62    2.64
   
        -68.83224468 
        -68.82952113 
        -68.83133683 
   
  
  
       1.82    1.84
       2.03    2.05
   
        -68.82565495 
        -68.82892206 
        -68.82674399 
   
  
  
       1.83    1.85
       2.06    2.08
   
        -68.81278089 
        -68.81911936 
        -68.81489372 
   
  
  
       1.67    1.69
       1.89    1.92
   
        -68.81405976 
        -68.81852255 
        -68.81554736 
   
  
  
       1.63    1.65
       1.84    1.86
   
        -68.81575203 
        -68.81824920 
        -68.81658442 
   
  
  
       1.74    1.76
       1.97    1.99
   
        -68.81833941 
        -68.82524565 
        -68.82064149 
   
  
  
       1.44    1.46
       1.66    1.68
   
        -68.82136022 
        -68.82722280 
        -68.82331442 
   
  
  
       1.71    1.73
       1.93    1.95
   
        -68.82448384 
        -68.83088627 
        -68.82661799 
   
  
  
       1.70    1.72
       1.92    1.94
   
        -68.82767501 
        -68.83357136 
        -68.82964046 
   
  
  
       1.60    1.62
       1.82    1.85
   
        -68.82879530 
        -68.83477620 
        -68.83078894 
   
  
  
       1.59    1.61
       1.81    1.83
   
        -68.82995567 
        -68.83588949 
        -68.83193361 
   
  
  
       1.80    1.82
       2.02    2.04
   
        -68.83067599 
        -68.83652242 
        -68.83262480 
   
  
  
       1.57    1.61
       1.80    1.84
   
        -68.83089359 
        -68.83676094 
        -68.83284937