vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  05:49:34 
 
 
  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      0.32000000      0.73000000
  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 
    
   
   
           0.93121964       0.52974892       0.11012352 
           0.85136876       0.23378731       0.42637224 
           0.13731841       0.44895747       0.19606798 
           0.09535308       0.28318617       0.33211064 
           0.81828771       0.33494231       0.02637039 
           0.95588350       0.42243613       0.51611913 
           0.08212138       0.33460816       0.13663580 
           0.20084160       0.40805514       0.39085886 
           0.82817232       0.54732284       0.52078168 
           0.77191469       0.24546924       0.88295725 
           0.05726668       0.51144928       0.65126090 
           0.01349535       0.20653009       0.76180723 
           0.90312291       0.31120821       0.59126462 
           0.86557961       0.44605128       0.95658832 
           0.13734676       0.32482754       0.73613677 
           0.09760770       0.43631133       0.81839147 
           0.42294308       0.46163718       0.12077449 
           0.36449169       0.29343767       0.42138559 
           0.68875246       0.48579611       0.20905065 
           0.64334894       0.31394633       0.33980573 
           0.32491326       0.31924658       0.00857937 
           0.43694583       0.43821082       0.52314368 
           0.56127030       0.34787467       0.14047707 
           0.69175633       0.42991863       0.39964494 
           0.31641693       0.55461263       0.55167302 
           0.27420450       0.23312974       0.86387388 
           0.59925732       0.51806811       0.65711223 
           0.53834930       0.21156681       0.75044255 
           0.39873674       0.32810085       0.62548265 
           0.36820367       0.42831425       0.91849145 
           0.67371129       0.32790686       0.72801671 
           0.63280418       0.43783996       0.81587043 
           0.66475086       0.67977518       0.62587600 
           0.65793396       0.69463399       0.56196165 
           0.44976954       0.57976435       0.67638333 
   
  
  
           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 
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          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
      105
       -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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
           0.00000002
           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      0.32000000      0.73000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.93121964       0.52974892       0.11012352 
          0.85136876       0.23378731       0.42637224 
          0.13731841       0.44895747       0.19606798 
          0.09535308       0.28318617       0.33211064 
          0.81828771       0.33494231       0.02637039 
          0.95588350       0.42243613       0.51611913 
          0.08212138       0.33460816       0.13663580 
          0.20084160       0.40805514       0.39085886 
          0.82817232       0.54732284       0.52078168 
          0.77191469       0.24546924       0.88295725 
          0.05726668       0.51144928       0.65126090 
          0.01349535       0.20653009       0.76180723 
          0.90312291       0.31120821       0.59126462 
          0.86557961       0.44605128       0.95658832 
          0.13734676       0.32482754       0.73613677 
          0.09760770       0.43631133       0.81839147 
          0.42294308       0.46163718       0.12077449 
          0.36449169       0.29343767       0.42138559 
          0.68875246       0.48579611       0.20905065 
          0.64334894       0.31394633       0.33980573 
          0.32491326       0.31924658       0.00857937 
          0.43694583       0.43821082       0.52314368 
          0.56127030       0.34787467       0.14047707 
          0.69175633       0.42991863       0.39964494 
          0.31641693       0.55461263       0.55167302 
          0.27420450       0.23312974       0.86387388 
          0.59925732       0.51806811       0.65711223 
          0.53834930       0.21156681       0.75044255 
          0.39873674       0.32810085       0.62548265 
          0.36820367       0.42831425       0.91849145 
          0.67371129       0.32790686       0.72801671 
          0.63280418       0.43783996       0.81587043 
          0.66475086       0.67977518       0.62587600 
          0.65793396       0.69463399       0.56196165 
          0.44976954       0.57976435       0.67638333 
  
 
 
  
      12.47   12.49
      13.68   13.70
   
         24.76344702 
       9054.62124904 
     -12336.39035456 
       -264.08007910 
       3167.08814863 
      -2605.71786812 
         -0.01004815 
       -196.44816790 
       3755.32434067 
        599.15066754 
        599.16071569 
        599.15401692 
   
  
  
      15.70   15.73
      15.70   15.73
   
        -89.32369534 
        -89.31482267 
        -89.32073778 
   
  
  
      14.91   14.95
      14.91   14.95
   
       -162.55392028 
       -162.52727113 
       -162.54503723 
   
  
  
      15.24   15.30
      15.24   15.30
   
       -165.54038843 
       -165.51286828 
       -165.53121505 
   
  
  
      16.15   16.22
      16.45   16.52
   
       -165.69277002 
       -165.66522440 
       -165.68358815 
   
  
  
      14.62   14.66
      16.10   16.15
   
      -2503.48347655 
      -2503.48550677 
      -2503.48415329 
   
  
  
      14.61   14.64
      15.42   15.45
   
     -28917.20750522 
     -28917.17891403 
     -28917.19797482 
   
  
  
      13.69   13.74
      14.52   14.57
   
       -128.01130126 
       -128.00669589 
       -128.00976614 
   
  
  
      15.31   15.34
      16.28   16.31
   
       -420.55038321 
       -420.51694096 
       -420.53923579 
   
  
  
      14.77   14.81
      15.56   15.60
   
       -132.79259166 
       -132.79022538 
       -132.79180290 
   
  
  
      14.54   14.58
      15.38   15.43
   
       -142.90413994 
       -142.89733154 
       -142.90187047 
   
  
  
      13.76   13.80
      14.57   14.62
   
       -146.26247622 
       -146.26168481 
       -146.26221242 
   
  
  
      13.80   13.86
      14.61   14.66
   
       -149.66204244 
       -149.65523255 
       -149.65977248 
   
  
  
      13.30   13.34
      14.10   14.14
   
       -157.43069802 
       -157.44081560 
       -157.43407054 
   
  
  
      13.65   13.71
      14.47   14.53
   
       -164.75004110 
       -164.75033063 
       -164.75013761 
   
  
  
      13.88   13.93
      14.81   14.86
   
       -169.88747720 
       -169.91343142 
       -169.89612860 
   
  
  
      14.09   14.13
      15.19   15.23
   
       -172.15910632 
       -172.18391432 
       -172.16737565 
   
  
  
      13.98   14.04
      14.87   14.92
   
       -173.44982477 
       -173.47564938 
       -173.45843298 
   
  
  
      15.96   16.00
      16.80   16.84
   
      -3592.81555721 
      -3592.78465814 
      -3592.80525752 
   
  
  
      14.55   14.58
      15.47   15.49
   
       -168.34654984 
       -168.37035079 
       -168.35448349 
   
  
  
      14.34   14.39
      15.27   15.32
   
       -175.21805463 
       -175.24386853 
       -175.22665926 
   
  
  
      13.90   13.95
      14.87   14.93
   
       -172.07243138 
       -172.09779102 
       -172.08088459 
   
  
  
      16.76   16.83
      17.63   17.69
   
      -1111.32532797 
      -1111.31975036 
      -1111.32346877 
   
  
  
      14.26   14.31
      15.14   15.18
   
       -162.49140076 
       -162.46152538 
       -162.48144230 
   
  
  
      13.83   13.87
      14.76   14.81
   
       -171.53444750 
       -171.56362569 
       -171.54417356 
   
  
  
      14.13   14.18
      15.07   15.12
   
       -173.45301761 
       -173.47784130 
       -173.46129217 
   
  
  
      13.92   13.95
      14.82   14.85
   
       -172.22815202 
       -172.25299147 
       -172.23643183