vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  11:43:30 
 
 
  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 
    
   
   
           0.04665993       0.93777017       0.19400302 
           0.92185324       0.94699314       0.96727887 
           0.62954834       0.09080255       0.44592395 
           0.55357353       0.35986905       0.59496086 
           0.37669086       0.96592732       0.73654388 
           0.84166389       0.08037370       0.02660997 
           0.15663643       0.10528545       0.06422330 
           0.26441009       0.73320848       0.45224730 
           0.85418473       0.52924595       0.61948056 
           0.62989554       0.87368879       0.86313564 
           0.66622470       0.50662075       0.46453269 
           0.54813779       0.73615128       0.63456711 
           0.90141655       0.92870349       0.81269458 
           0.71285380       0.53987250       0.03608621 
           0.91011580       0.53778388       0.69613837 
           0.36524753       0.02765050       0.07599644 
           0.10743263       0.89388642       0.79145230 
           0.60957496       0.82581395       0.65085010 
           0.04576583       0.99581837       0.56982194 
           0.13672286       0.43727105       0.21934437 
           0.20952654       0.73456102       0.44846370 
           0.95220618       0.79084109       0.15975944 
           0.83191356       0.45355317       0.88711078 
           0.23992152       0.68775606       0.10265658 
           0.98385899       0.36432986       0.06282449 
           0.65736770       0.66960576       0.29677578 
           0.03794587       0.39499397       0.70401155 
           0.25552261       0.96664989       0.57949333 
           0.39826393       0.59471493       0.81478705 
           0.11643614       0.75451953       0.88351612 
           0.52820314       0.04499340       0.56851244 
           0.49120779       0.45388102       0.04352433 
           0.73366085       0.34606580       0.14196727 
           0.23370636       0.13687498       0.75969612 
           0.73348948       0.97869124       0.76964279 
   
  
  
           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
       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 
   
  
  
          0.04665993       0.93777017       0.19400302 
          0.92185324       0.94699314       0.96727887 
          0.62954834       0.09080255       0.44592395 
          0.55357353       0.35986905       0.59496086 
          0.37669086       0.96592732       0.73654388 
          0.84166389       0.08037370       0.02660997 
          0.15663643       0.10528545       0.06422330 
          0.26441009       0.73320848       0.45224730 
          0.85418473       0.52924595       0.61948056 
          0.62989554       0.87368879       0.86313564 
          0.66622470       0.50662075       0.46453269 
          0.54813779       0.73615128       0.63456711 
          0.90141655       0.92870349       0.81269458 
          0.71285380       0.53987250       0.03608621 
          0.91011580       0.53778388       0.69613837 
          0.36524753       0.02765050       0.07599644 
          0.10743263       0.89388642       0.79145230 
          0.60957496       0.82581395       0.65085010 
          0.04576583       0.99581837       0.56982194 
          0.13672286       0.43727105       0.21934437 
          0.20952654       0.73456102       0.44846370 
          0.95220618       0.79084109       0.15975944 
          0.83191356       0.45355317       0.88711078 
          0.23992152       0.68775606       0.10265658 
          0.98385899       0.36432986       0.06282449 
          0.65736770       0.66960576       0.29677578 
          0.03794587       0.39499397       0.70401155 
          0.25552261       0.96664989       0.57949333 
          0.39826393       0.59471493       0.81478705 
          0.11643614       0.75451953       0.88351612 
          0.52820314       0.04499340       0.56851244 
          0.49120779       0.45388102       0.04352433 
          0.73366085       0.34606580       0.14196727 
          0.23370636       0.13687498       0.75969612 
          0.73348948       0.97869124       0.76964279 
  
 
 
  
       5.59    5.65
       6.05    6.10
   
         24.76344702 
      -1016.70321584 
      -1931.93524083 
       -297.35380224 
       3170.77583059 
      -2609.60722799 
          0.01874787 
       -158.11941361 
       3755.32434067 
        937.16346565 
        937.14471778 
        937.15721636 
   
  
  
       7.32    7.38
       7.32    7.38
   
        371.39381148 
        371.39963811 
        371.39575369 
   
  
  
       8.57    8.62
       8.57    8.62
   
        272.53084214 
        272.54381310 
        272.53516579 
   
  
  
       8.38    8.44
       8.38    8.44
   
        259.64963642 
        259.62080502 
        259.64002595 
   
  
  
       8.29    8.37
       8.41    8.51
   
        259.15007074 
        259.11102087 
        259.13705411 
   
  
  
       8.31    8.37
       8.91    8.98
   
        276.15521047 
        276.18159250 
        276.16400448 
   
  
  
       8.27    8.34
       8.86    8.93
   
        188.46271976 
        188.55561032 
        188.49368328 
   
  
  
       7.15    7.22
       7.71    7.78
   
        258.36757037 
        258.37871403 
        258.37128493 
   
  
  
       7.52    7.57
       8.08    8.14
   
        300.39078714 
        300.41854092 
        300.40003840 
   
  
  
       7.46    7.51
       8.03    8.09
   
        303.41260380 
        303.35861652 
        303.39460804 
   
  
  
       7.27    7.32
       7.85    7.91
   
        302.61397666 
        302.55088005 
        302.59294446 
   
  
  
       8.95    9.01
       9.51    9.58
   
        302.55816143 
        302.52909753 
        302.54847346 
   
  
  
       7.88    7.95
       8.45    8.52
   
        304.29324360 
        304.28688041 
        304.29112254 
   
  
  
       7.96    8.01
       8.52    8.58
   
        305.99979077 
        305.97029067 
        305.98995740 
   
  
  
       6.81    6.87
       7.38    7.45
   
        306.70407292 
        306.67340349 
        306.69384977 
   
  
  
       7.36    7.43
       7.93    8.01
   
        306.68393142 
        306.65341017 
        306.67375767 
   
  
  
       8.66    8.73
       9.22    9.30
   
        306.77901246 
        306.75543494 
        306.77115328 
   
  
  
       7.39    7.45
       7.96    8.03
   
        306.83155799 
        306.82976031 
        306.83095876 
   
  
  
       7.45    7.52
       8.01    8.09
   
        306.71672534 
        306.69130528 
        306.70825199 
   
  
  
       6.77    6.83
       7.34    7.41
   
        306.17083382 
        306.12788770 
        306.15651845 
   
  
  
       7.25    7.30
       7.81    7.88
   
        305.85480721 
        305.81038690 
        305.84000044 
   
  
  
       7.71    7.77
       8.30    8.36
   
        305.31838713 
        305.27049177 
        305.30242201 
   
  
  
       7.13    7.18
       7.70    7.76
   
        304.96979538 
        304.92356668 
        304.95438581 
   
  
  
       8.09    8.16
       8.68    8.75
   
        304.78633448 
        304.73934519 
        304.77067138 
   
  
  
       7.26    7.32
       7.86    7.92
   
        302.53117330 
        302.48857061 
        302.51697241 
   
  
  
       7.26    7.32
       7.85    7.92
   
        297.30424071 
        297.27155439 
        297.29334527 
   
  
  
       7.13    7.18
       7.70    7.75
   
        296.09653179 
        296.07841286 
        296.09049215 
   
  
  
       6.58    6.63
       7.18    7.24
   
        293.75611248 
        293.72974034 
        293.74732176 
   
  
  
       7.17    7.23
       7.75    7.81
   
        291.98806644 
        291.96007078 
        291.97873456 
   
  
  
       6.75    6.81
       7.34    7.40
   
        291.30409288 
        291.27373206 
        291.29397261 
   
  
  
       6.70    6.76
       7.32    7.38
   
        291.36627497 
        291.33692397 
        291.35649130