vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  17:52:39 
 
 
  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 
    
   
   
           0.69959056       0.50334354       0.66061976 
           0.11806016       0.49651889       0.77033835 
           0.23582348       0.30064027       0.66485825 
           0.60331949       0.09684317       0.32926659 
           0.40897702       0.64245012       0.40647012 
           0.34038554       0.96981807       0.64258955 
           0.71652610       0.81885789       0.96040459 
           0.46650501       0.31366737       0.07955731 
           0.52911630       0.15131672       0.44348715 
           0.32633538       0.92843222       0.49902869 
           0.85009415       0.25099850       0.06548408 
           0.65336362       0.87495588       0.57704586 
           0.61171846       0.33731412       0.52453057 
           0.18077111       0.52261688       0.65965632 
           0.94067534       0.48429509       0.20598641 
           0.52293418       0.34516576       0.81091084 
           0.92334514       0.72181425       0.41620367 
           0.01298905       0.71674401       0.31535642 
           0.34524240       0.01571966       0.22920766 
           0.42209758       0.93075997       0.29960015 
           0.73834134       0.13057446       0.50746419 
           0.73996021       0.68269597       0.38864064 
           0.81731876       0.47311422       0.36875845 
           0.27594791       0.52825678       0.71152034 
           0.00271974       0.67558071       0.88264195 
           0.95603072       0.56942974       0.65495200 
           0.90845594       0.03377556       0.34077427 
           0.31749852       0.52477285       0.74046378 
           0.56231432       0.98815033       0.38847334 
           0.92769971       0.83879785       0.13804339 
           0.61236535       0.37678986       0.22017100 
           0.17533597       0.38412284       0.01488468 
           0.94577765       0.16694195       0.30817836 
           0.50169004       0.32463735       0.08032299 
           0.55944952       0.47987675       0.27949963 
   
  
  
           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 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       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       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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 
   
  
  
          0.69959056       0.50334354       0.66061976 
          0.11806016       0.49651889       0.77033835 
          0.23582348       0.30064027       0.66485825 
          0.60331949       0.09684317       0.32926659 
          0.40897702       0.64245012       0.40647012 
          0.34038554       0.96981807       0.64258955 
          0.71652610       0.81885789       0.96040459 
          0.46650501       0.31366737       0.07955731 
          0.52911630       0.15131672       0.44348715 
          0.32633538       0.92843222       0.49902869 
          0.85009415       0.25099850       0.06548408 
          0.65336362       0.87495588       0.57704586 
          0.61171846       0.33731412       0.52453057 
          0.18077111       0.52261688       0.65965632 
          0.94067534       0.48429509       0.20598641 
          0.52293418       0.34516576       0.81091084 
          0.92334514       0.72181425       0.41620367 
          0.01298905       0.71674401       0.31535642 
          0.34524240       0.01571966       0.22920766 
          0.42209758       0.93075997       0.29960015 
          0.73834134       0.13057446       0.50746419 
          0.73996021       0.68269597       0.38864064 
          0.81731876       0.47311422       0.36875845 
          0.27594791       0.52825678       0.71152034 
          0.00271974       0.67558071       0.88264195 
          0.95603072       0.56942974       0.65495200 
          0.90845594       0.03377556       0.34077427 
          0.31749852       0.52477285       0.74046378 
          0.56231432       0.98815033       0.38847334 
          0.92769971       0.83879785       0.13804339 
          0.61236535       0.37678986       0.22017100 
          0.17533597       0.38412284       0.01488468 
          0.94577765       0.16694195       0.30817836 
          0.50169004       0.32463735       0.08032299 
          0.55944952       0.47987675       0.27949963 
  
 
 
  
      11.95   12.07
      12.52   12.64
   
         24.76344702 
       -490.94111047 
      -2164.02980486 
       -290.87107882 
       3170.77583059 
      -2609.60722799 
         -0.01025034 
       -199.69282124 
       3755.32434067 
       1195.71132456 
       1195.72157490 
       1195.71474134 
   
  
  
      15.69   15.81
      15.69   15.81
   
        502.20645966 
        502.21567074 
        502.20953002 
   
  
  
      18.60   18.72
      18.60   18.72
   
        334.09717533 
        334.17511825 
        334.12315630 
   
  
  
      16.17   16.29
      16.18   16.29
   
        319.66170823 
        319.75339049 
        319.69226898 
   
  
  
      16.98   17.12
      17.16   17.31
   
        318.81670271 
        318.90363280 
        318.84567941 
   
  
  
      15.27   15.39
      15.89   16.02
   
        392.79949103 
        392.79026245 
        392.79641484 
   
  
  
      15.20   15.31
      15.84   15.95
   
        339.63942041 
        339.61651390 
        339.63178491 
   
  
  
      17.43   17.54
      18.06   18.17
   
        366.05716506 
        366.07426022 
        366.06286345 
   
  
  
      15.11   15.21
      15.74   15.85
   
        433.83272938 
        433.83534637 
        433.83360171 
   
  
  
      15.36   15.50
      16.00   16.14
   
        427.70798562 
        427.73275171 
        427.71624098 
   
  
  
      16.71   16.84
      17.34   17.47
   
        427.25018110 
        427.26101399 
        427.25379206 
   
  
  
      15.43   15.56
      16.06   16.20
   
        426.53189863 
        426.54751861 
        426.53710529 
   
  
  
      15.50   15.63
      16.15   16.28
   
        411.40890667 
        411.42869082 
        411.41550138 
   
  
  
      14.99   15.09
      15.62   15.73
   
        407.20170621 
        407.24855924 
        407.21732389 
   
  
  
      14.88   14.99
      15.49   15.61
   
        405.25400799 
        405.25515415 
        405.25439004 
   
  
  
      13.27   13.37
      13.90   14.01
   
        389.92555258 
        389.92585374 
        389.92565297 
   
  
  
      14.39   14.55
      15.03   15.19
   
        389.50980399 
        389.51367037 
        389.51109278 
   
  
  
      13.65   13.76
      14.28   14.40
   
        394.46904911 
        394.44934657 
        394.46248160 
   
  
  
      14.57   14.67
      15.21   15.31
   
        401.90533963 
        401.89562178 
        401.90210035 
   
  
  
      15.45   15.56
      16.09   16.20
   
        406.37898245 
        406.37542986 
        406.37779825 
   
  
  
      15.42   15.55
      16.06   16.19
   
        409.29787771 
        409.29124173 
        409.29566571 
   
  
  
      13.59   13.70
      14.23   14.35
   
        403.87877343 
        403.87799762 
        403.87851483 
   
  
  
      14.30   14.43
      14.94   15.08
   
        402.07372566 
        402.06733575 
        402.07159569 
   
  
  
      11.99   12.13
      12.64   12.78
   
        431.61890710 
        431.59755977 
        431.61179132 
   
  
  
      13.76   13.87
      14.41   14.52
   
        432.64045583 
        432.65179094 
        432.64423420 
   
  
  
      16.39   16.53
      17.02   17.16
   
      -7815.59601486 
      -7815.54741001 
      -7815.57981324 
   
  
  
      12.85   12.96
      13.49   13.61
   
     -15548.08517331 
     -15548.10849038 
     -15548.09294566 
   
  
  
      14.54   14.65
      15.19   15.30
   
        483.47983703 
        483.43605031 
        483.46524146 
   
  
  
      13.76   13.86
      14.42   14.53
   
        448.69347342 
        448.71714591 
        448.70136425 
   
  
  
      13.79   13.91
      14.43   14.56
   
        441.42460680 
        441.43184006 
        441.42701789 
   
  
  
      10.52   10.66
      11.20   11.35
   
        464.88238481 
        464.89994164 
        464.88823709 
   
  
  
      11.54   11.65
      12.18   12.29
   
        469.04451195 
        469.06361690 
        469.05088026 
   
  
  
      10.62   10.77
      11.27   11.42
   
        479.13926762 
        479.15246511 
        479.14366678 
   
  
  
      11.23   11.33
      11.89   12.00
   
        478.50988439 
        478.51425843 
        478.51134240 
   
  
  
      10.41   10.51
      11.07   11.18
   
        473.64687627 
        473.64416601 
        473.64597285 
   
  
  
      10.43   10.55
      11.07   11.20
   
        463.05280847 
        463.04720196 
        463.05093963 
   
  
  
      12.21   12.32
      12.86   12.97
   
        430.72214669 
        430.69971876 
        430.71467072 
   
  
  
      11.39   11.50
      12.06   12.17
   
        430.13499281 
        430.10113849 
        430.12370804 
   
  
  
      11.00   11.11
      11.67   11.78
   
        434.26312274 
        434.26023780 
        434.26216109 
   
  
  
       8.31    8.42
       8.99    9.11
   
        434.64150902 
        434.61555254 
        434.63285686 
   
  
  
       6.50    6.61
       7.20    7.31
   
        436.68095695 
        436.66848359 
        436.67679916 
   
  
  
       7.87    7.97
       8.51    8.61
   
        436.61913187 
        436.60609768 
        436.61478714 
   
  
  
       7.15    7.25
       7.79    7.89
   
        437.26759835 
        437.27476777 
        437.26998815 
   
  
  
       6.67    6.77
       7.32    7.42
   
        437.40700459 
        437.40164933 
        437.40521950 
   
  
  
       7.73    7.83
       8.37    8.48
   
        437.90099618 
        437.89447290 
        437.89882175 
   
  
  
       6.92    7.03
       7.57    7.69
   
        442.07851830 
        442.05900803 
        442.07201487 
   
  
  
       7.57    7.68
       8.22    8.33
   
        444.31181574 
        444.29218345 
        444.30527164