vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  00:03:39 
 
 
  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      0.32000000      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 
    
   
   
           0.93077446       0.52993148       0.11024782 
           0.85295146       0.23351996       0.42636842 
           0.13673559       0.44896437       0.19613508 
           0.09675237       0.28293651       0.33156268 
           0.81793599       0.33539618       0.02604976 
           0.95634179       0.42229255       0.51592314 
           0.08203127       0.33462229       0.13628819 
           0.20162057       0.40822265       0.39080995 
           0.82821847       0.54747629       0.51913173 
           0.77175802       0.24561775       0.88342448 
           0.05656562       0.51160970       0.65065350 
           0.01398173       0.20639840       0.76331768 
           0.90355868       0.31109911       0.59123918 
           0.86586563       0.44647396       0.95636367 
           0.13723492       0.32468154       0.73624720 
           0.09726955       0.43639878       0.81791158 
           0.42241657       0.46143081       0.12075133 
           0.36557191       0.29399757       0.42114489 
           0.68766351       0.48586035       0.20918434 
           0.64487052       0.31354239       0.33958158 
           0.32542818       0.31996855       0.00828433 
           0.43706088       0.43764566       0.52409846 
           0.56164342       0.34782085       0.14072203 
           0.69150440       0.42973775       0.39969056 
           0.31757736       0.55444338       0.55280938 
           0.27505642       0.23344790       0.86449596 
           0.59987657       0.51814923       0.65623941 
           0.53853292       0.21176567       0.75023274 
           0.39927323       0.32722254       0.62609798 
           0.36849441       0.42908762       0.91775168 
           0.67486140       0.32811336       0.72847238 
           0.63339227       0.43815856       0.81536525 
           0.66240501       0.67996294       0.62532971 
           0.65139696       0.69391549       0.56402929 
           0.44883826       0.57876002       0.67593687 
   
  
  
           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 
   
  
  
          0.93077446       0.52993148       0.11024782 
          0.85295146       0.23351996       0.42636842 
          0.13673559       0.44896437       0.19613508 
          0.09675237       0.28293651       0.33156268 
          0.81793599       0.33539618       0.02604976 
          0.95634179       0.42229255       0.51592314 
          0.08203127       0.33462229       0.13628819 
          0.20162057       0.40822265       0.39080995 
          0.82821847       0.54747629       0.51913173 
          0.77175802       0.24561775       0.88342448 
          0.05656562       0.51160970       0.65065350 
          0.01398173       0.20639840       0.76331768 
          0.90355868       0.31109911       0.59123918 
          0.86586563       0.44647396       0.95636367 
          0.13723492       0.32468154       0.73624720 
          0.09726955       0.43639878       0.81791158 
          0.42241657       0.46143081       0.12075133 
          0.36557191       0.29399757       0.42114489 
          0.68766351       0.48586035       0.20918434 
          0.64487052       0.31354239       0.33958158 
          0.32542818       0.31996855       0.00828433 
          0.43706088       0.43764566       0.52409846 
          0.56164342       0.34782085       0.14072203 
          0.69150440       0.42973775       0.39969056 
          0.31757736       0.55444338       0.55280938 
          0.27505642       0.23344790       0.86449596 
          0.59987657       0.51814923       0.65623941 
          0.53853292       0.21176567       0.75023274 
          0.39927323       0.32722254       0.62609798 
          0.36849441       0.42908762       0.91775168 
          0.67486140       0.32811336       0.72847238 
          0.63339227       0.43815856       0.81536525 
          0.66240501       0.67996294       0.62532971 
          0.65139696       0.69391549       0.56402929 
          0.44883826       0.57876002       0.67593687 
  
 
 
  
      12.40   12.41
      13.17   13.18
   
         24.76344702 
       9065.71295515 
     -12345.91264568 
       -264.01261028 
       3167.08814863 
      -2605.71786812 
         -0.01224002 
       -197.07929630 
       3755.32434067 
        600.15423108 
        600.16647110 
        600.15831108 
   
  
  
      15.62   15.64
      15.62   15.64
   
        -88.93636278 
        -88.92720897 
        -88.93331151 
   
  
  
      14.67   14.69
      14.67   14.69
   
       -162.25940941 
       -162.23143309 
       -162.25008397 
   
  
  
      15.37   15.41
      15.37   15.41
   
       -165.29049247 
       -165.26210934 
       -165.28103142 
   
  
  
      15.95   15.98
      16.12   16.16
   
       -165.43553374 
       -165.40713623 
       -165.42606791 
   
  
  
      15.44   15.49
      16.39   16.43
   
      -5603.78205120 
      -5603.76231186 
      -5603.77547142 
   
  
  
      14.94   14.97
      15.79   15.83
   
       -153.11639328 
       -153.09005344 
       -153.10761333 
   
  
  
      13.96   14.04
      14.81   14.89
   
       -138.11421073 
       -138.08211732 
       -138.10351293 
   
  
  
      15.53   15.55
      16.37   16.39
   
       -155.39669894 
       -155.37058092 
       -155.38799293 
   
  
  
      13.58   13.60
      14.47   14.50
   
       -134.75455116 
       -134.72726354 
       -134.74545529 
   
  
  
      15.20   15.24
      16.10   16.13
   
       -148.04471896 
       -148.02284663 
       -148.03742818 
   
  
  
      19.78   19.81
      20.66   20.69
   
     -16823.11763048 
     -16823.10003631 
     -16823.11176576 
   
  
  
      13.10   13.13
      14.12   14.15
   
       -117.32171719 
       -117.32730218 
       -117.32357885 
   
  
  
      15.33   15.34
      16.62   16.63
   
       -145.45201207 
       -145.45006973 
       -145.45136462 
   
  
  
      15.43   15.45
      16.67   16.69
   
       -154.34737096 
       -154.35556428 
       -154.35010207 
   
  
  
      14.51   14.53
      15.66   15.68
   
       -158.42656254 
       -158.42103781 
       -158.42472096 
   
  
  
      17.35   17.37
      18.70   18.72
   
       -467.83148597 
       -467.80496554 
       -467.82264583 
   
  
  
      12.97   12.99
      13.99   14.02
   
       -160.54938599 
       -160.56455405 
       -160.55444201 
   
  
  
      14.28   14.31
      15.22   15.25
   
       -168.43426278 
       -168.46305680 
       -168.44386079 
   
  
  
      16.34   16.37
      17.26   17.29
   
       -182.38650110 
       -182.41758287 
       -182.39686169 
   
  
  
      13.71   13.73
      14.69   14.71
   
       -168.75959237 
       -168.78302874 
       -168.76740449 
   
  
  
      13.68   13.72
      14.55   14.60
   
       -172.20850804 
       -172.23256554 
       -172.21652721 
   
  
  
      19.56   19.57
      20.50   20.52
   
       -987.25348725 
       -987.23734385 
       -987.24810612 
   
  
  
      15.27   15.29
      16.31   16.33
   
       -400.41608349 
       -400.39638872 
       -400.40951856 
   
  
  
      13.60   13.63
      14.51   14.53
   
       -166.58935549 
       -166.61335028 
       -166.59735375 
   
  
  
      19.36   19.38
      20.46   20.48
   
     -13599.25027113 
     -13599.23962043 
     -13599.24672090 
   
  
  
       8.05    8.09
      10.42   10.46
   
      -2234.67295460 
      -2234.66798090 
      -2234.67129670 
   
  
  
       9.69    9.71
      11.02   11.04
   
       -163.29233849 
       -163.30905325 
       -163.29791007 
   
  
  
       9.03    9.04
      10.16   10.18
   
       -163.20937792 
       -163.24443486 
       -163.22106356 
   
  
  
       7.63    7.67
       8.48    8.52
   
       -173.25503865 
       -173.27917062 
       -173.26308264 
   
  
  
       6.76    6.79
       7.77    7.80
   
       -174.73023369 
       -174.75479800 
       -174.73842179 
   
  
  
       2.87    2.92
       3.84    3.89
   
       -221.19287775 
       -221.14425995 
       -221.17667182