vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  08:25:59 
 
 
  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 
    
   
   
           0.37950416       0.62069143       0.46843637 
           0.53080896       0.69858447       0.66709612 
           0.52555987       0.11989829       0.35845088 
           0.99014179       0.61228845       0.90982226 
           0.12427164       0.87777530       0.52460664 
           0.36341301       0.35134740       0.74584069 
           0.16204116       0.89125979       0.90793217 
           0.26526775       0.06902965       0.62902871 
           0.13294109       0.32845055       0.62365402 
           0.21280582       0.97026073       0.86345535 
           0.31352123       0.69150413       0.05747048 
           0.00704507       0.60651274       0.87551679 
           0.22689780       0.36397535       0.45257374 
           0.35332140       0.70312845       0.94676525 
           0.69741007       0.47893625       0.51921760 
           0.54247005       0.93483224       0.43603321 
           0.79829891       0.22126492       0.98860496 
           0.97820089       0.08064337       0.09287144 
           0.15453510       0.20555219       0.24011584 
           0.29290181       0.51517136       0.64447800 
           0.39287137       0.42676597       0.38821092 
           0.47441381       0.95703664       0.77420063 
           0.29217296       0.05155637       0.70980941 
           0.00188558       0.54802300       0.29159619 
           0.66885032       0.86352046       0.18118913 
           0.63666541       0.29921143       0.81307051 
           0.75354500       0.25037738       0.72950902 
           0.93868619       0.12993582       0.41107513 
           0.12692830       0.76833083       0.01301672 
           0.06408718       0.84231410       0.28294533 
           0.85749669       0.53778557       0.65475420 
           0.12042879       0.32219724       0.70984576 
           0.38766314       0.94816234       0.53063743 
           0.08964781       0.96667064       0.13159148 
           0.33392713       0.98752004       0.17941941 
   
  
  
           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 
   
  
  
          0.37950416       0.62069143       0.46843637 
          0.53080896       0.69858447       0.66709612 
          0.52555987       0.11989829       0.35845088 
          0.99014179       0.61228845       0.90982226 
          0.12427164       0.87777530       0.52460664 
          0.36341301       0.35134740       0.74584069 
          0.16204116       0.89125979       0.90793217 
          0.26526775       0.06902965       0.62902871 
          0.13294109       0.32845055       0.62365402 
          0.21280582       0.97026073       0.86345535 
          0.31352123       0.69150413       0.05747048 
          0.00704507       0.60651274       0.87551679 
          0.22689780       0.36397535       0.45257374 
          0.35332140       0.70312845       0.94676525 
          0.69741007       0.47893625       0.51921760 
          0.54247005       0.93483224       0.43603321 
          0.79829891       0.22126492       0.98860496 
          0.97820089       0.08064337       0.09287144 
          0.15453510       0.20555219       0.24011584 
          0.29290181       0.51517136       0.64447800 
          0.39287137       0.42676597       0.38821092 
          0.47441381       0.95703664       0.77420063 
          0.29217296       0.05155637       0.70980941 
          0.00188558       0.54802300       0.29159619 
          0.66885032       0.86352046       0.18118913 
          0.63666541       0.29921143       0.81307051 
          0.75354500       0.25037738       0.72950902 
          0.93868619       0.12993582       0.41107513 
          0.12692830       0.76833083       0.01301672 
          0.06408718       0.84231410       0.28294533 
          0.85749669       0.53778557       0.65475420 
          0.12042879       0.32219724       0.70984576 
          0.38766314       0.94816234       0.53063743 
          0.08964781       0.96667064       0.13159148 
          0.33392713       0.98752004       0.17941941 
  
 
 
  
       5.43    5.48
       5.89    5.95
   
         24.76344702 
      -1143.03938398 
      -1651.11726772 
       -297.31652924 
       3170.77583059 
      -2609.60722799 
         -0.00182663 
       -166.72408435 
       3755.32434067 
       1083.05729838 
       1083.05912501 
       1083.05790726 
   
  
  
       7.50    7.56
       7.51    7.56
   
        486.22192460 
        486.22231152 
        486.22205357 
   
  
  
       8.84    8.90
       8.84    8.90
   
        371.29881548 
        371.27995521 
        371.29252872 
   
  
  
       8.14    8.19
       8.14    8.19
   
        356.29358063 
        356.29526652 
        356.29414259 
   
  
  
       7.90    7.95
       8.01    8.07
   
        355.33245317 
        355.34825563 
        355.33772066 
   
  
  
       8.00    8.06
       8.57    8.63
   
        350.68168571 
        350.66198946 
        350.67512029 
   
  
  
       8.42    8.48
       8.99    9.05
   
        378.89525777 
        378.89802195 
        378.89617917 
   
  
  
       8.03    8.09
       8.60    8.66
   
        411.85406811 
        411.82330579 
        411.84381400 
   
  
  
       7.53    7.58
       8.10    8.15
   
        409.65945438 
        409.68848101 
        409.66912992 
   
  
  
       7.84    7.89
       8.40    8.46
   
        409.92050829 
        409.93683632 
        409.92595097 
   
  
  
       7.67    7.73
       8.25    8.31
   
        409.23865661 
        409.21142975 
        409.22958099 
   
  
  
       7.73    7.78
       8.30    8.35
   
        407.66101754 
        407.66707761 
        407.66303757 
   
  
  
       7.97    8.02
       8.54    8.60
   
        400.71192036 
        400.73601841 
        400.71995304 
   
  
  
       8.03    8.09
       8.60    8.66
   
        382.17102588 
        382.13798017 
        382.16001064 
   
  
  
       7.21    7.27
       7.79    7.84
   
        382.12941487 
        382.14178422 
        382.13353799 
   
  
  
       7.56    7.63
       8.14    8.21
   
        397.16125594 
        397.16981526 
        397.16410905 
   
  
  
       7.24    7.29
       7.81    7.87
   
        402.50572296 
        402.50920143 
        402.50688245 
   
  
  
       7.42    7.47
       7.99    8.05
   
        402.89538966 
        402.89146587 
        402.89408173