vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  14:51:24 
 
 
  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      0.73000000      0.32000000
        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      0.00000000
      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
 
 
  
   
    
            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 
    
   
   
           0.58206639       0.32725159       0.98999141 
           0.60960504       0.39248224       0.01395816 
           0.62963699       0.53766916       0.36172257 
           0.51321470       0.55705900       0.00331167 
           0.37283565       0.32552690       0.84728608 
           0.95045200       0.60135333       0.79816914 
           0.16367333       0.16783335       0.93717777 
           0.53267083       0.32030264       0.02965801 
           0.10487293       0.80572269       0.62007702 
           0.43750874       0.09202184       0.06095323 
           0.66480654       0.60791583       0.33846541 
           0.41296576       0.81629862       0.66862407 
           0.99890772       0.07296532       0.13139591 
           0.33909273       0.64205938       0.27537389 
           0.92238240       0.59268866       0.29357552 
           0.21036263       0.11153042       0.84683139 
           0.98095651       0.28059410       0.85467994 
           0.53433780       0.31576482       0.06573947 
           0.77387211       0.62048547       0.75664440 
           0.73911321       0.25927064       0.36451850 
           0.36752477       0.92627884       0.31860349 
           0.23050722       0.61492262       0.30212710 
           0.78608465       0.19750550       0.38755858 
           0.17207934       0.86859771       0.49938333 
           0.27943317       0.99996725       0.30377144 
           0.37797284       0.21817514       0.23956779 
           0.45798273       0.27631229       0.96147202 
           0.64133878       0.68970972       0.86880387 
           0.69221859       0.61968604       0.37449338 
           0.40399240       0.58650097       0.53861312 
           0.06086421       0.02459400       0.34925737 
           0.97493552       0.78030707       0.98639842 
           0.81583658       0.75945469       0.62700686 
           0.10769835       0.14805730       0.43991545 
           0.52735472       0.95938248       0.09849206 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          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
       88
       -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  
          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      0.00000000
      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
           0.00000003
           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      0.73000000      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  
        28.08500000     16.00000000      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
        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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.58206639       0.32725159       0.98999141 
          0.60960504       0.39248224       0.01395816 
          0.62963699       0.53766916       0.36172257 
          0.51321470       0.55705900       0.00331167 
          0.37283565       0.32552690       0.84728608 
          0.95045200       0.60135333       0.79816914 
          0.16367333       0.16783335       0.93717777 
          0.53267083       0.32030264       0.02965801 
          0.10487293       0.80572269       0.62007702 
          0.43750874       0.09202184       0.06095323 
          0.66480654       0.60791583       0.33846541 
          0.41296576       0.81629862       0.66862407 
          0.99890772       0.07296532       0.13139591 
          0.33909273       0.64205938       0.27537389 
          0.92238240       0.59268866       0.29357552 
          0.21036263       0.11153042       0.84683139 
          0.98095651       0.28059410       0.85467994 
          0.53433780       0.31576482       0.06573947 
          0.77387211       0.62048547       0.75664440 
          0.73911321       0.25927064       0.36451850 
          0.36752477       0.92627884       0.31860349 
          0.23050722       0.61492262       0.30212710 
          0.78608465       0.19750550       0.38755858 
          0.17207934       0.86859771       0.49938333 
          0.27943317       0.99996725       0.30377144 
          0.37797284       0.21817514       0.23956779 
          0.45798273       0.27631229       0.96147202 
          0.64133878       0.68970972       0.86880387 
          0.69221859       0.61968604       0.37449338 
          0.40399240       0.58650097       0.53861312 
          0.06086421       0.02459400       0.34925737 
          0.97493552       0.78030707       0.98639842 
          0.81583658       0.75945469       0.62700686 
          0.10769835       0.14805730       0.43991545 
          0.52735472       0.95938248       0.09849206 
  
 
 
  
       5.77    5.82
       6.25    6.30
   
         24.76344702 
        580.92940056 
      -2513.93430707 
       -290.82870433 
       3170.77583059 
      -2609.60722799 
         -0.01117336 
       -241.73592000 
       3755.32434067 
       1875.67568609 
       1875.68685946 
       1875.67941055 
   
  
  
       8.50    8.55
       8.50    8.55
   
       1028.99435457 
       1029.00675257 
       1028.99848724 
   
  
  
       8.83    8.88
       8.83    8.88
   
        759.90786532 
        759.90635379 
        759.90736148 
   
  
  
       7.68    7.73
       7.68    7.73
   
        696.04258291 
        696.03886054 
        696.04134212 
   
  
  
       7.62    7.68
       7.73    7.79
   
        679.31315638 
        679.33539509 
        679.32056929 
   
  
  
       7.71    7.76
       8.29    8.35
   
        862.54706805 
        862.58410851 
        862.55941487 
   
  
  
       7.16    7.22
       7.74    7.80
   
        881.83173511 
        881.85424872 
        881.83923964 
   
  
  
       7.30    7.35
       7.85    7.91
   
        870.85477147 
        870.83587995 
        870.84847430 
   
  
  
       6.92    6.98
       7.47    7.54
   
        851.10373309 
        851.07558294 
        851.09434970 
   
  
  
       7.87    7.95
       8.43    8.51
   
        819.87106412 
        819.89073595 
        819.87762140 
   
  
  
       7.56    7.63
       8.12    8.19
   
        866.89019744 
        866.90831303 
        866.89623597 
   
  
  
       7.32    7.39
       7.88    7.95
   
        863.49843567 
        863.46848919 
        863.48845351 
   
  
  
       7.94    7.99
       8.50    8.56
   
        869.93317350 
        869.95622098 
        869.94085599 
   
  
  
       7.23    7.30
       7.81    7.89
   
        869.61283705 
        869.63597866 
        869.62055092 
   
  
  
       8.27    8.32
       8.86    8.92
   
        854.41938882 
        854.39172687 
        854.41016817 
   
  
  
       8.26    8.31
       8.84    8.90
   
        895.27644607 
        895.24437228 
        895.26575481 
   
  
  
       7.96    8.03
       8.54    8.61
   
        883.01701477 
        883.07455276 
        883.03619410 
   
  
  
       6.86    6.92
       7.42    7.49
   
        891.20197124 
        891.17575201 
        891.19323149 
   
  
  
       6.81    6.87
       7.39    7.45
   
        897.58624104 
        897.58681193 
        897.58643134 
   
  
  
       7.55    7.61
       8.11    8.18
   
        911.07022512 
        911.08125916 
        911.07390313 
   
  
  
       8.16    8.23
       8.73    8.81
   
        909.77491032 
        909.78670486 
        909.77884183