vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:22:13 
 
 
  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 
    
   
   
           0.87537207       0.44680670       0.00643938 
           0.96688695       0.64075308       0.54529369 
           0.32292097       0.61828410       0.79662130 
           0.01058531       0.13997659       0.96886642 
           0.09933790       0.98988018       0.71787071 
           0.80136773       0.06180805       0.97375826 
           0.84519364       0.19305782       0.72525070 
           0.94437817       0.19704478       0.28970598 
           0.77002416       0.06032993       0.02301015 
           0.55786440       0.32246115       0.34376478 
           0.33524568       0.60633530       0.96446733 
           0.02044183       0.27771004       0.87091810 
           0.83643333       0.66968908       0.10601652 
           0.01352524       0.79939208       0.27095771 
           0.23511111       0.70488668       0.28339274 
           0.74365403       0.54991857       0.84102209 
           0.34321537       0.73117059       0.05673043 
           0.26474574       0.90449801       0.90053747 
           0.78356324       0.55434960       0.57074789 
           0.83241517       0.07975386       0.03851433 
           0.46367585       0.74665384       0.89587770 
           0.22540628       0.01040181       0.83582198 
           0.79203184       0.27073195       0.51509976 
           0.90241080       0.17503556       0.34184966 
           0.74156323       0.92533184       0.49019639 
           0.06750998       0.39165519       0.50107528 
           0.73659007       0.44688599       0.26737830 
           0.44779893       0.28758693       0.92520261 
           0.43694039       0.85344242       0.28157011 
           0.41958592       0.57461848       0.55613841 
           0.96718325       0.66423484       0.33794889 
           0.56350608       0.60082377       0.83479340 
           0.16561199       0.68927582       0.10273930 
           0.39105688       0.10918864       0.72587381 
           0.16849977       0.10625834       0.64316140 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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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 
  
 
 
  
          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 
   
  
  
          0.87537207       0.44680670       0.00643938 
          0.96688695       0.64075308       0.54529369 
          0.32292097       0.61828410       0.79662130 
          0.01058531       0.13997659       0.96886642 
          0.09933790       0.98988018       0.71787071 
          0.80136773       0.06180805       0.97375826 
          0.84519364       0.19305782       0.72525070 
          0.94437817       0.19704478       0.28970598 
          0.77002416       0.06032993       0.02301015 
          0.55786440       0.32246115       0.34376478 
          0.33524568       0.60633530       0.96446733 
          0.02044183       0.27771004       0.87091810 
          0.83643333       0.66968908       0.10601652 
          0.01352524       0.79939208       0.27095771 
          0.23511111       0.70488668       0.28339274 
          0.74365403       0.54991857       0.84102209 
          0.34321537       0.73117059       0.05673043 
          0.26474574       0.90449801       0.90053747 
          0.78356324       0.55434960       0.57074789 
          0.83241517       0.07975386       0.03851433 
          0.46367585       0.74665384       0.89587770 
          0.22540628       0.01040181       0.83582198 
          0.79203184       0.27073195       0.51509976 
          0.90241080       0.17503556       0.34184966 
          0.74156323       0.92533184       0.49019639 
          0.06750998       0.39165519       0.50107528 
          0.73659007       0.44688599       0.26737830 
          0.44779893       0.28758693       0.92520261 
          0.43694039       0.85344242       0.28157011 
          0.41958592       0.57461848       0.55613841 
          0.96718325       0.66423484       0.33794889 
          0.56350608       0.60082377       0.83479340 
          0.16561199       0.68927582       0.10273930 
          0.39105688       0.10918864       0.72587381 
          0.16849977       0.10625834       0.64316140 
  
 
 
  
       5.89    5.94
       6.40    6.45
   
         24.76344702 
       -740.28630932 
      -1951.77253682 
       -296.67802287 
       3170.77583059 
      -2609.60722799 
         -0.00906539 
       -173.79140245 
       3755.32434067 
       1178.71905344 
       1178.72811883 
       1178.72207524 
   
  
  
       8.15    8.22
       8.16    8.22
   
        513.90881387 
        513.91146224 
        513.90969666 
   
  
  
       9.40    9.45
       9.40    9.45
   
        343.02329645 
        343.02286976 
        343.02315422 
   
  
  
       9.34    9.39
       9.34    9.39
   
        317.88028897 
        317.90849503 
        317.88969099 
   
  
  
       8.67    8.73
       8.79    8.86
   
        315.04880018 
        315.07150635 
        315.05636891 
   
  
  
       7.52    7.58
       8.08    8.14
   
        350.66418106 
        350.62804106 
        350.65213439 
   
  
  
       8.89    8.95
       9.46    9.52
   
        392.76303134 
        392.76319624 
        392.76308631 
   
  
  
       7.78    7.84
       8.34    8.40
   
        404.76125283 
        404.78582242 
        404.76944270 
   
  
  
       8.03    8.09
       8.59    8.65
   
        404.43693866 
        404.46549539 
        404.44645757 
   
  
  
       8.18    8.23
       8.74    8.81
   
        405.16341278 
        405.15665368 
        405.16115975 
   
  
  
       8.14    8.19
       8.71    8.77
   
        405.36894961 
        405.36873054 
        405.36887659 
   
  
  
       8.87    8.92
       9.44    9.50
   
        405.03503788 
        405.07144348 
        405.04717308 
   
  
  
       6.92    6.98
       7.49    7.55
   
        411.63540987 
        411.65299985 
        411.64127319 
   
  
  
       8.16    8.22
       8.74    8.79
   
        406.07711492 
        406.07982753 
        406.07801913 
   
  
  
       7.53    7.58
       8.10    8.15
   
        391.53328845 
        391.54583327 
        391.53747006 
   
  
  
       7.66    7.72
       8.22    8.29
   
        387.99227266 
        388.01164852 
        387.99873128