vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:40 
 
 
  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
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.99166669       0.46035003       0.04126113 
           0.00460730       0.54868999       0.44867310 
           0.23856469       0.45680424       0.17504980 
           0.24233356       0.52050413       0.32997094 
           0.99112094       0.23111919       0.42119018 
           0.24112094       0.23111919       0.30620478 
           0.99112094       0.30403655       0.05180732 
           0.24112094       0.30403655       0.17558764 
           0.99112094       0.38054068       0.42541977 
           0.24112094       0.38054068       0.30197519 
           0.99006021       0.46106439       0.54487868 
           0.98416878       0.54652975       0.95613637 
           0.23473869       0.45894883       0.68320199 
           0.22348143       0.53214519       0.82468505 
           0.24112094       0.23111919       0.80620478 
           0.99112094       0.30403655       0.55180732 
           0.24112094       0.30403655       0.67558764 
           0.99112094       0.38054068       0.92541977 
           0.24112094       0.38054068       0.80197519 
           0.49354556       0.45741358       0.05569604 
           0.51243801       0.52869364       0.42862069 
           0.75086221       0.45448709       0.17209408 
           0.77845967       0.51480256       0.33057060 
           0.49112094       0.23111919       0.42119018 
           0.74112094       0.23111919       0.30620478 
           0.49112094       0.30403655       0.05180732 
           0.74112094       0.30403655       0.17558764 
           0.49112094       0.38054068       0.42541977 
           0.74112094       0.38054068       0.30197519 
           0.48710367       0.45396257       0.55838123 
           0.48533009       0.53366181       0.93898696 
           0.74320214       0.45827101       0.67831461 
           0.74266918       0.52856195       0.82451013 
           0.49112094       0.23111919       0.92119018 
           0.74112094       0.23111919       0.80620478 
           0.74112094       0.30403655       0.67558764 
           0.49112094       0.38054068       0.92541977 
           0.74112094       0.38054068       0.80197519 
           0.18988036       0.64839914       0.74710258 
           0.58587191       0.62587434       0.61349865 
           0.23275019       0.58529192       0.73750299 
           0.52840676       0.58316012       0.51157088 
           0.34964041       0.67420696       0.62239394 
           0.64946306       0.74192754       0.76747854 
           0.39353366       0.71559941       0.63768044 
           0.27434226       0.67835987       0.52865940 
           0.23625416       0.66841617       0.87054477 
           0.77600012       0.63914849       0.56953047 
           0.99410450       0.65464786       0.73711835 
           0.68390610       0.58557835       0.72669605 
           0.68748442       0.78407629       0.81635883 
           0.75944629       0.71570685       0.74254802 
           0.58536776       0.75591140       0.67672197 
           0.54874404       0.71791035       0.81922551 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          13 
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          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      123
       -1
       -1
       190.00000000
        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      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      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
           0.00000002
           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
   
  
  
       40
      126
       54
       80
      252
      108
    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
  
  
        1
        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
        23.36961235
         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  
  
 
 
        54 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    C    3
    C    3
    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
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.99166669       0.46035003       0.04126113 
          0.00460730       0.54868999       0.44867310 
          0.23856469       0.45680424       0.17504980 
          0.24233356       0.52050413       0.32997094 
          0.99112094       0.23111919       0.42119018 
          0.24112094       0.23111919       0.30620478 
          0.99112094       0.30403655       0.05180732 
          0.24112094       0.30403655       0.17558764 
          0.99112094       0.38054068       0.42541977 
          0.24112094       0.38054068       0.30197519 
          0.99006021       0.46106439       0.54487868 
          0.98416878       0.54652975       0.95613637 
          0.23473869       0.45894883       0.68320199 
          0.22348143       0.53214519       0.82468505 
          0.24112094       0.23111919       0.80620478 
          0.99112094       0.30403655       0.55180732 
          0.24112094       0.30403655       0.67558764 
          0.99112094       0.38054068       0.92541977 
          0.24112094       0.38054068       0.80197519 
          0.49354556       0.45741358       0.05569604 
          0.51243801       0.52869364       0.42862069 
          0.75086221       0.45448709       0.17209408 
          0.77845967       0.51480256       0.33057060 
          0.49112094       0.23111919       0.42119018 
          0.74112094       0.23111919       0.30620478 
          0.49112094       0.30403655       0.05180732 
          0.74112094       0.30403655       0.17558764 
          0.49112094       0.38054068       0.42541977 
          0.74112094       0.38054068       0.30197519 
          0.48710367       0.45396257       0.55838123 
          0.48533009       0.53366181       0.93898696 
          0.74320214       0.45827101       0.67831461 
          0.74266918       0.52856195       0.82451013 
          0.49112094       0.23111919       0.92119018 
          0.74112094       0.23111919       0.80620478 
          0.74112094       0.30403655       0.67558764 
          0.49112094       0.38054068       0.92541977 
          0.74112094       0.38054068       0.80197519 
          0.18988036       0.64839914       0.74710258 
          0.58587191       0.62587434       0.61349865 
          0.23275019       0.58529192       0.73750299 
          0.52840676       0.58316012       0.51157088 
          0.34964041       0.67420696       0.62239394 
          0.64946306       0.74192754       0.76747854 
          0.39353366       0.71559941       0.63768044 
          0.27434226       0.67835987       0.52865940 
          0.23625416       0.66841617       0.87054477 
          0.77600012       0.63914849       0.56953047 
          0.99410450       0.65464786       0.73711835 
          0.68390610       0.58557835       0.72669605 
          0.68748442       0.78407629       0.81635883 
          0.75944629       0.71570685       0.74254802 
          0.58536776       0.75591140       0.67672197 
          0.54874404       0.71791035       0.81922551 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.66   12.83
      13.08   13.25
   
         40.50514279 
      17444.37415852 
     -22186.14176556 
       -275.87100740 
       4456.43530550 
      -3757.52896329 
          0.02275681 
       -236.00539846 
       5406.19701560 
        891.98724451 
        891.96448770 
        891.97965891 
   
  
  
      15.83   15.83
      15.83   15.83
   
       -143.98997877 
       -143.98502565 
       -143.98832773 
   
  
  
      16.22   16.22
      16.22   16.22
   
       -275.88060963 
       -275.91990014 
       -275.89370646 
   
  
  
      16.04   16.04
      16.04   16.04
   
       -280.86819407 
       -280.91621310 
       -280.88420041 
   
  
  
      17.06   17.06
      17.24   17.23
   
       -281.02228761 
       -281.07022182 
       -281.03826568 
   
  
  
      15.17   15.17
      15.75   15.75
   
       -268.84399452 
       -268.87673373 
       -268.85490759 
   
  
  
      14.97   14.97
      15.57   15.57
   
       -270.61439388 
       -270.61102122 
       -270.61326966 
   
  
  
      15.73   15.73
      16.28   16.28
   
       -268.17430736 
       -268.16047979 
       -268.16969817 
   
  
  
      17.04   17.04
      17.60   17.60
   
       -267.15133735 
       -267.16311490 
       -267.15526320 
   
  
  
      14.35   14.35
      14.89   14.89
   
       -267.11278545 
       -267.13387051 
       -267.11981381 
   
  
  
      16.68   16.68
      17.23   17.23
   
       -267.02807978 
       -267.04991032 
       -267.03535663 
   
  
  
      14.32   14.31
      14.89   14.89
   
       -267.04171696 
       -267.06732011 
       -267.05025134 
   
  
  
      15.40   15.40
      15.94   15.94
   
       -267.03014861 
       -267.05293235 
       -267.03774319