vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.90284227       0.10393461       0.79998179 
           0.83929617       0.09036015       0.83984020 
           0.44545263       0.21332583       0.97690585 
           0.83179324       0.77657071       0.03938229 
           0.37413187       0.44114966       0.38845718 
           0.71929239       0.12739646       0.21433525 
           0.65914232       0.81147712       0.79451786 
           0.45026282       0.48903112       0.92404701 
           0.31623915       0.00743775       0.58542384 
           0.67457562       0.61226361       0.79129183 
           0.74772747       0.96347468       0.50411715 
           0.16998347       0.87001646       0.81629036 
           0.63816393       0.67759504       0.72956463 
           0.57683316       0.36281431       0.26924421 
           0.73123549       0.94444717       0.54689809 
           0.49133391       0.53032078       0.52481391 
           0.09517014       0.87885360       0.79507599 
           0.09233668       0.29049378       0.78673105 
           0.14485611       0.32039234       0.21187191 
           0.22350870       0.27744824       0.71202653 
           0.82116126       0.05623330       0.52204875 
           0.37793448       0.58046247       0.85443873 
           0.48382500       0.58090959       0.41571147 
           0.58472750       0.87182792       0.32036097 
           0.22527769       0.09188938       0.79606923 
           0.57952224       0.03363719       0.30171171 
           0.77105212       0.15748875       0.08398654 
           0.88805351       0.52702532       0.85012010 
           0.97319701       0.78789082       0.08856727 
           0.87600471       0.52677479       0.15200265 
           0.11445941       0.87556273       0.42622831 
           0.35014781       0.17642687       0.98239669 
           0.91238006       0.09293334       0.19534835 
           0.71630222       0.35433499       0.16517571 
           0.83846321       0.83328420       0.63079863 
   
  
  
           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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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 
   
  
  
          0.90284227       0.10393461       0.79998179 
          0.83929617       0.09036015       0.83984020 
          0.44545263       0.21332583       0.97690585 
          0.83179324       0.77657071       0.03938229 
          0.37413187       0.44114966       0.38845718 
          0.71929239       0.12739646       0.21433525 
          0.65914232       0.81147712       0.79451786 
          0.45026282       0.48903112       0.92404701 
          0.31623915       0.00743775       0.58542384 
          0.67457562       0.61226361       0.79129183 
          0.74772747       0.96347468       0.50411715 
          0.16998347       0.87001646       0.81629036 
          0.63816393       0.67759504       0.72956463 
          0.57683316       0.36281431       0.26924421 
          0.73123549       0.94444717       0.54689809 
          0.49133391       0.53032078       0.52481391 
          0.09517014       0.87885360       0.79507599 
          0.09233668       0.29049378       0.78673105 
          0.14485611       0.32039234       0.21187191 
          0.22350870       0.27744824       0.71202653 
          0.82116126       0.05623330       0.52204875 
          0.37793448       0.58046247       0.85443873 
          0.48382500       0.58090959       0.41571147 
          0.58472750       0.87182792       0.32036097 
          0.22527769       0.09188938       0.79606923 
          0.57952224       0.03363719       0.30171171 
          0.77105212       0.15748875       0.08398654 
          0.88805351       0.52702532       0.85012010 
          0.97319701       0.78789082       0.08856727 
          0.87600471       0.52677479       0.15200265 
          0.11445941       0.87556273       0.42622831 
          0.35014781       0.17642687       0.98239669 
          0.91238006       0.09293334       0.19534835 
          0.71630222       0.35433499       0.16517571 
          0.83846321       0.83328420       0.63079863 
  
 
 
  
       4.43    4.45
       5.11    5.13
   
         24.76344702 
       -719.90357510 
      -1931.08979741 
       -296.58975123 
       3170.77911944 
      -2609.61052727 
          0.00426420 
       -193.13104000 
       3755.32434067 
       1200.54648032 
       1200.54221611 
       1200.54505892 
   
  
  
       6.29    6.29
       6.29    6.30
   
        567.29095682 
        567.28943178 
        567.29044847 
   
  
  
       7.46    7.47
       7.46    7.47
   
        447.53269333 
        447.53914530 
        447.53484399 
   
  
  
       7.30    7.31
       7.30    7.31
   
        434.07259012 
        434.06199668 
        434.06905897 
   
  
  
       7.18    7.19
       7.26    7.27
   
        432.17426853 
        432.13343893 
        432.16065866 
   
  
  
       6.97    6.98
       7.47    7.49
   
        448.01623675 
        448.00888734 
        448.01378695 
   
  
  
       8.00    8.01
       8.41    8.43
   
        272.29506277 
        272.25879836 
        272.28297464 
   
  
  
       6.96    6.99
       7.43    7.46
   
        453.21563691 
        453.25046261 
        453.22724548 
   
  
  
       6.35    6.38
       6.81    6.84
   
        473.58625971 
        473.55583038 
        473.57611660 
   
  
  
       6.53    6.56
       7.00    7.02
   
        487.57491746 
        487.57576546 
        487.57520013 
   
  
  
       6.22    6.24
       6.65    6.67
   
        492.18162710 
        492.15124323 
        492.17149914 
   
  
  
       6.37    6.40
       6.89    6.92
   
        490.19442949 
        490.13952726 
        490.17612875 
   
  
  
       6.49    6.51
       6.90    6.93
   
        488.52356338 
        488.47127356 
        488.50613344 
   
  
  
       6.22    6.25
       6.72    6.75
   
        486.71643146 
        486.69309709 
        486.70865334 
   
  
  
       7.06    7.10
       7.45    7.49
   
        486.57594675 
        486.60655479 
        486.58614943 
   
  
  
       5.95    5.96
       6.35    6.36
   
        490.02352793 
        490.03738361 
        490.02814649 
   
  
  
       6.58    6.60
       6.99    7.01
   
        491.37097133 
        491.39671397 
        491.37955221 
   
  
  
       7.33    7.36
       7.74    7.77
   
        484.91330900 
        484.89048294 
        484.90570031