vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:41 
 
 
  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 
    
   
   
           0.98690858       0.45768711       0.03511518 
           0.00301752       0.54627913       0.44400443 
           0.23346637       0.45390838       0.16863721 
           0.23650358       0.51689233       0.32345962 
           0.98756932       0.22872186       0.41666917 
           0.23756932       0.22872186       0.30168377 
           0.98756932       0.30163922       0.04728631 
           0.23756932       0.30163922       0.17106663 
           0.98756932       0.37814335       0.42089876 
           0.23756932       0.37814335       0.29745418 
           0.98731830       0.45844079       0.53928986 
           0.98098214       0.54469713       0.95190125 
           0.23074020       0.45584664       0.67801320 
           0.22006245       0.52910828       0.81844116 
           0.23756932       0.22872186       0.80168377 
           0.98756932       0.30163922       0.54728631 
           0.23756932       0.30163922       0.67106663 
           0.98756932       0.37814335       0.92089876 
           0.23756932       0.37814335       0.79745418 
           0.48961408       0.45481526       0.05041323 
           0.50818958       0.52501727       0.42104571 
           0.74719570       0.45160639       0.16626778 
           0.77818899       0.51163145       0.32503387 
           0.48756932       0.22872186       0.41666917 
           0.73756932       0.22872186       0.30168377 
           0.48756932       0.30163922       0.04728631 
           0.73756932       0.30163922       0.17106663 
           0.48756932       0.37814335       0.42089876 
           0.73756932       0.37814335       0.29745418 
           0.48359084       0.45101547       0.55405523 
           0.48074729       0.53192447       0.93554804 
           0.74035051       0.45583410       0.67261280 
           0.73974614       0.52338926       0.82478385 
           0.48756932       0.22872186       0.91666917 
           0.73756932       0.22872186       0.80168377 
           0.73756932       0.30163922       0.67106663 
           0.48756932       0.37814335       0.92089876 
           0.73756932       0.37814335       0.79745418 
           0.22567897       0.64539670       0.73902447 
           0.59044969       0.61952804       0.61003101 
           0.22680133       0.58121307       0.72661648 
           0.51482175       0.58134344       0.50060761 
           0.42037830       0.66922803       0.64855551 
           0.61221261       0.76565847       0.80144266 
           0.46821548       0.70682839       0.68793123 
           0.37623218       0.68158900       0.55209318 
           0.24349331       0.66390319       0.86626071 
           0.76326711       0.64287459       0.56852795 
           0.05597854       0.66496985       0.69434995 
           0.66260867       0.58671991       0.71676376 
           0.68666738       0.80577651       0.81814610 
           0.68736193       0.72927357       0.80781280 
           0.56646223       0.77049949       0.70316649 
           0.50789010       0.75825875       0.86631509 
   
  
  
           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 
          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 
   
  
  
          0.98690858       0.45768711       0.03511518 
          0.00301752       0.54627913       0.44400443 
          0.23346637       0.45390838       0.16863721 
          0.23650358       0.51689233       0.32345962 
          0.98756932       0.22872186       0.41666917 
          0.23756932       0.22872186       0.30168377 
          0.98756932       0.30163922       0.04728631 
          0.23756932       0.30163922       0.17106663 
          0.98756932       0.37814335       0.42089876 
          0.23756932       0.37814335       0.29745418 
          0.98731830       0.45844079       0.53928986 
          0.98098214       0.54469713       0.95190125 
          0.23074020       0.45584664       0.67801320 
          0.22006245       0.52910828       0.81844116 
          0.23756932       0.22872186       0.80168377 
          0.98756932       0.30163922       0.54728631 
          0.23756932       0.30163922       0.67106663 
          0.98756932       0.37814335       0.92089876 
          0.23756932       0.37814335       0.79745418 
          0.48961408       0.45481526       0.05041323 
          0.50818958       0.52501727       0.42104571 
          0.74719570       0.45160639       0.16626778 
          0.77818899       0.51163145       0.32503387 
          0.48756932       0.22872186       0.41666917 
          0.73756932       0.22872186       0.30168377 
          0.48756932       0.30163922       0.04728631 
          0.73756932       0.30163922       0.17106663 
          0.48756932       0.37814335       0.42089876 
          0.73756932       0.37814335       0.29745418 
          0.48359084       0.45101547       0.55405523 
          0.48074729       0.53192447       0.93554804 
          0.74035051       0.45583410       0.67261280 
          0.73974614       0.52338926       0.82478385 
          0.48756932       0.22872186       0.91666917 
          0.73756932       0.22872186       0.80168377 
          0.73756932       0.30163922       0.67106663 
          0.48756932       0.37814335       0.92089876 
          0.73756932       0.37814335       0.79745418 
          0.22567897       0.64539670       0.73902447 
          0.59044969       0.61952804       0.61003101 
          0.22680133       0.58121307       0.72661648 
          0.51482175       0.58134344       0.50060761 
          0.42037830       0.66922803       0.64855551 
          0.61221261       0.76565847       0.80144266 
          0.46821548       0.70682839       0.68793123 
          0.37623218       0.68158900       0.55209318 
          0.24349331       0.66390319       0.86626071 
          0.76326711       0.64287459       0.56852795 
          0.05597854       0.66496985       0.69434995 
          0.66260867       0.58671991       0.71676376 
          0.68666738       0.80577651       0.81814610 
          0.68736193       0.72927357       0.80781280 
          0.56646223       0.77049949       0.70316649 
          0.50789010       0.75825875       0.86631509 
  
  
     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 
  
 
 
  
      12.94   13.12
      13.36   13.55
   
         40.50514279 
      17190.69016310 
     -21920.66526279 
       -275.13379027 
       4456.43530550 
      -3757.52896329 
          0.00420104 
       -243.64313784 
       5406.19701560 
        896.86067383 
        896.85647279 
        896.85927349 
   
  
  
      15.93   15.93
      15.93   15.93
   
       -145.38795348 
       -145.41092618 
       -145.39561105 
   
  
  
      15.78   15.78
      15.78   15.78
   
       -277.61439865 
       -277.65748924 
       -277.62876218 
   
  
  
      16.24   16.24
      16.24   16.24
   
       -283.28617657 
       -283.33040679 
       -283.30091997 
   
  
  
      16.80   16.79
      16.92   16.91
   
       -283.43717673 
       -283.48120389 
       -283.45185245 
   
  
  
      15.20   15.20
      15.71   15.70
   
       -270.68091386 
       -270.70905828 
       -270.69029533 
   
  
  
      14.95   14.95
      15.47   15.47
   
       -272.26907262 
       -272.24890952 
       -272.26235158 
   
  
  
      15.46   15.46
      15.99   15.99
   
       -269.36454343 
       -269.35111666 
       -269.36006784 
   
  
  
      16.79   16.79
      17.33   17.33
   
       -268.64943367 
       -268.65761081 
       -268.65215938 
   
  
  
      14.37   14.37
      14.96   14.96
   
       -268.67460301 
       -268.70246415 
       -268.68389006 
   
  
  
      16.04   16.03
      16.58   16.58
   
       -268.59898591 
       -268.61887151 
       -268.60561444 
   
  
  
      14.30   14.30
      14.82   14.82
   
       -268.61411370 
       -268.63685437 
       -268.62169392 
   
  
  
      15.24   15.24
      15.76   15.76
   
       -268.60511234 
       -268.62458988 
       -268.61160485