vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  19:32:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.16035593       0.77589133       0.17929223 
           0.86143992       0.21384478       0.23894675 
           0.81522237       0.33645357       0.94649152 
           0.04774546       0.34482314       0.87751492 
           0.27872173       0.65064213       0.87699734 
           0.04256654       0.60883574       0.58325255 
           0.92360231       0.38113230       0.51372363 
           0.18098940       0.47496868       0.34833637 
           0.55977885       0.48429042       0.58808900 
           0.60710310       0.60403042       0.64468231 
           0.08898092       0.66554941       0.76540417 
           0.75061760       0.26277126       0.81153470 
           0.85215939       0.38265717       0.23140596 
           0.62246110       0.70957503       0.03619712 
           0.73244455       0.37444130       0.69693694 
           0.63362852       0.48586082       0.74721706 
           0.69678769       0.64565682       0.21002938 
           0.29973827       0.04863137       0.14226361 
           0.74305814       0.02114742       0.45816931 
           0.21201796       0.63645916       0.25610067 
           0.32311486       0.43038705       0.39037359 
           0.39757433       0.21929002       0.16606912 
           0.98084226       0.52388481       0.02046875 
           0.34003470       0.22912703       0.36636378 
           0.95888669       0.54632042       0.35908340 
           0.22781986       0.25896826       0.61996440 
           0.07880129       0.65347505       0.72342681 
           0.52053234       0.56880309       0.19552199 
           0.38840292       0.97439314       0.06876945 
           0.22158423       0.60179623       0.38721307 
           0.18482100       0.66083175       0.72923537 
           0.78706121       0.68699604       0.55034374 
           0.07189729       0.60529658       0.37257659 
           0.58642672       0.44934446       0.58640109 
           0.27824488       0.59209652       0.30349327 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        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  
          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  
   
   
       200
        -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
       96
       54
       80
      192
      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      0.32000000      0.73000000
      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      1.00000000     16.00000000
         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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.16035593       0.77589133       0.17929223 
          0.86143992       0.21384478       0.23894675 
          0.81522237       0.33645357       0.94649152 
          0.04774546       0.34482314       0.87751492 
          0.27872173       0.65064213       0.87699734 
          0.04256654       0.60883574       0.58325255 
          0.92360231       0.38113230       0.51372363 
          0.18098940       0.47496868       0.34833637 
          0.55977885       0.48429042       0.58808900 
          0.60710310       0.60403042       0.64468231 
          0.08898092       0.66554941       0.76540417 
          0.75061760       0.26277126       0.81153470 
          0.85215939       0.38265717       0.23140596 
          0.62246110       0.70957503       0.03619712 
          0.73244455       0.37444130       0.69693694 
          0.63362852       0.48586082       0.74721706 
          0.69678769       0.64565682       0.21002938 
          0.29973827       0.04863137       0.14226361 
          0.74305814       0.02114742       0.45816931 
          0.21201796       0.63645916       0.25610067 
          0.32311486       0.43038705       0.39037359 
          0.39757433       0.21929002       0.16606912 
          0.98084226       0.52388481       0.02046875 
          0.34003470       0.22912703       0.36636378 
          0.95888669       0.54632042       0.35908340 
          0.22781986       0.25896826       0.61996440 
          0.07880129       0.65347505       0.72342681 
          0.52053234       0.56880309       0.19552199 
          0.38840292       0.97439314       0.06876945 
          0.22158423       0.60179623       0.38721307 
          0.18482100       0.66083175       0.72923537 
          0.78706121       0.68699604       0.55034374 
          0.07189729       0.60529658       0.37257659 
          0.58642672       0.44934446       0.58640109 
          0.27824488       0.59209652       0.30349327 
  
 
 
  
      11.74   11.77
      12.63   12.65
   
         24.76344702 
       2656.56637471 
      -5241.24096172 
       -281.41714881 
       3167.08814863 
      -2605.71786812 
         -0.00230185 
       -315.13044777 
       3755.32434067 
       1160.23358276 
       1160.23588462 
       1160.23435005 
   
  
  
      17.12   17.16
      17.12   17.16
   
        437.85111718 
        437.83598647 
        437.84607361 
   
  
  
      19.32   19.36
      19.33   19.36
   
        263.05994868 
        263.06568051 
        263.06185929 
   
  
  
      19.07   19.11
      19.07   19.11
   
        244.88793091 
        244.89954975 
        244.89180386 
   
  
  
      16.35   16.38
      16.51   16.55
   
        243.79760075 
        243.80938128 
        243.80152760 
   
  
  
      17.41   17.45
      18.20   18.25
   
        300.33033490 
        300.33058964 
        300.33041981 
   
  
  
      17.27   17.30
      18.08   18.11
   
        265.45198507 
        265.48965449 
        265.46454154 
   
  
  
      15.45   15.50
      16.24   16.29
   
        268.94480616 
        268.95784542 
        268.94915258 
   
  
  
      14.91   14.96
      15.76   15.81
   
        342.90081921 
        342.86817726 
        342.88993856 
   
  
  
      14.50   14.53
      15.33   15.37
   
        342.54911966 
        342.51590799 
        342.53804910 
   
  
  
      15.94   15.97
      16.80   16.84
   
        348.18807043 
        348.16940392 
        348.18184826 
   
  
  
      13.85   13.91
      14.70   14.77
   
        351.11405059 
        351.10946426 
        351.11252181 
   
  
  
      14.22   14.29
      15.07   15.14
   
        375.56862436 
        375.58399479 
        375.57374784 
   
  
  
      12.98   13.02
      13.89   13.93
   
        364.05899269 
        364.03155576 
        364.04984704 
   
  
  
      13.77   13.83
      14.62   14.68
   
        405.04033948 
        405.01454425 
        405.03174107 
   
  
  
      16.31   16.35
      17.16   17.20
   
        404.56439201 
        404.54174655 
        404.55684352