vasp 
  6.3.1  
  04May22 (build Jun 24 2022 14:24:36) complex                          parallel 
  Lin64 
  2022 11 25 
  23:16:26 
 
 
  No title
       0
  Accurate
  Damped
   F  
       2
      11
       1
      60
       2
      -1
        0.00001000
       0
       0
      500.00000000
    1001
        1.98000000      1.45000000      1.02000000
        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

   F  
        0.40000000
       -1.00620000
        8.99380000
       0
        0.05000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
            7.16674098       0.00000000       0.00000000 
            0.00000000      10.04135834       0.00000000 
            0.00000000       0.00000000       7.05818586 
    
        507.93397660 
    
            0.13953344       0.00000000       0.00000000 
            0.00000000       0.09958812       0.00000000 
            0.00000000       0.00000000       0.14167947 
    
   
   
           0.04719448       0.25000000       0.00957840 
           0.54719448       0.25000000       0.49042160 
           0.95280552       0.75000000       0.99042160 
           0.45280552       0.75000000       0.50957840 
           0.00000000       0.00000000       0.50000000 
           0.50000000       0.50000000       0.00000000 
           0.00000000       0.50000000       0.50000000 
           0.50000000       0.00000000       0.00000000 
           0.21323393       0.53264669       0.78675555 
           0.71323393       0.96735331       0.71324445 
           0.78676607       0.03264669       0.21324445 
           0.28676607       0.46735331       0.28675555 
           0.78676607       0.46735331       0.21324445 
           0.28676607       0.03264669       0.28675555 
           0.21323393       0.96735331       0.78675555 
           0.71323393       0.53264669       0.71324445 
           0.99397466       0.25000000       0.56152773 
           0.49397466       0.25000000       0.93847227 
           0.00602534       0.75000000       0.43847227 
           0.50602534       0.75000000       0.06152773 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          4        3        4 
         0.00000000       0.00000000       0.00000000 
         0.25000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.25000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.25000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.25000000       0.33333333       0.00000000 
          0.50000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.25000000 
          0.25000000       0.00000000       0.25000000 
          0.50000000       0.00000000       0.25000000 
          0.00000000       0.33333333       0.25000000 
          0.25000000       0.33333333       0.25000000 
          0.50000000       0.33333333       0.25000000 
          0.00000000       0.00000000       0.50000000 
          0.25000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.33333333       0.50000000 
          0.25000000       0.33333333       0.50000000 
          0.50000000       0.33333333       0.50000000 
  
  
          0.02083333 
          0.04166667 
          0.02083333 
          0.04166667 
          0.08333333 
          0.04166667 
          0.04166667 
          0.08333333 
          0.04166667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.02083333 
          0.04166667 
          0.02083333 
          0.04166667 
          0.08333333 
          0.04166667 
  
 
 
  
   No title
    F  
  
  
   accura
       500.00000000
       461.25700000
         0.00001000
       53
       10
       96
       -1
       -1
       160.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000
      -100
         2
     F  
   
   
         0
        11
         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

         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        500.00000000
    
      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
   
  
  
       54
       80
       54
      108
      160
      108
    F  
  
  
        0
       -1
        0
        0
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.98000000      1.45000000      1.02000000
     1001
        -1.00620000
         8.99380000
         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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       137.32700000     91.22400000     32.06600000
         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  
    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
        15.23801930
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        20 
         3 
  
   ion
   element
   atomtype
   
    Ba   1
    Ba   1
    Ba   1
    Ba   1
    Zr   2
    Zr   2
    Zr   2
    Zr   2
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       4Ba    137.32700000     10.00000000  PAW_PBE Ba_sv 06Sep2000               
       4Zr     91.22400000     12.00000000  PAW_PBE Zr_sv 04Jan2005               
      12S      32.06600000      6.00000000  PAW_PBE S 06Sep2000                   
   
  
 
 
  
   
           7.16674098       0.00000000       0.00000000 
           0.00000000      10.04135834       0.00000000 
           0.00000000       0.00000000       7.05818586 
   
       507.93397660 
   
           0.13953344       0.00000000       0.00000000 
           0.00000000       0.09958812       0.00000000 
           0.00000000       0.00000000       0.14167947 
   
  
  
          0.04719448       0.25000000       0.00957840 
          0.54719448       0.25000000       0.49042160 
          0.95280552       0.75000000       0.99042160 
          0.45280552       0.75000000       0.50957840 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.00000000 
          0.21323393       0.53264669       0.78675555 
          0.71323393       0.96735331       0.71324445 
          0.78676607       0.03264669       0.21324445 
          0.28676607       0.46735331       0.28675555 
          0.78676607       0.46735331       0.21324445 
          0.28676607       0.03264669       0.28675555 
          0.21323393       0.96735331       0.78675555 
          0.71323393       0.53264669       0.71324445 
          0.99397466       0.25000000       0.56152773 
          0.49397466       0.25000000       0.93847227 
          0.00602534       0.75000000       0.43847227 
          0.50602534       0.75000000       0.06152773 
  
 
 
  
       8.43    8.48
   
        565.26313503 
      -9034.49647385 
      -2122.16916935 
        448.95206788 
      15402.01957311 
     -15292.56506179 
         -0.00417310 
        687.28159563 
      11262.14243151 
       1916.42392508 
       1916.42809818 
       1916.42601163 
   
  
  
       9.68    9.73
   
     -14957.76293074 
     -14957.75154795 
     -14957.75723934 
   
  
  
       9.57    9.62
   
      -8388.48648876 
      -8388.47822960 
      -8388.48235918