vasp 
  6.3.2  
  27Jun22 (build Oct 31 2022 01:10:08) complex                          parallel 
  Lin64 
  2023 07 09 
  10:36:29 
 
 
       0
  Accurate
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       3
       1
      500.00000000
        1.54000000      2.35000000      1.25000000      1.47000000      1.14000000
   F  
       0
        0.05000000
       1
       4
   F  
   F  
   F  
  PS
       1
   T  
       2
      -1    -1     2    -1    -1
        0.00000000      0.00000000     10.00000000      0.00000000      0.00000000
        0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
 
 
  
   
    
           11.68542135       0.00000000       0.00000000 
            0.00000000      11.68542135       0.00000000 
            0.00000000       0.00000000      11.68542135 
    
       1595.63344276 
    
            0.08557672       0.00000000       0.00000000 
            0.00000000       0.08557672       0.00000000 
            0.00000000       0.00000000       0.08557672 
    
   
   
           0.00000000       0.00000000       0.00000000 
           0.00000000       0.00000000       0.50000000 
           0.00000000       0.50000000       0.00000000 
           0.00000000       0.50000000       0.50000000 
           0.50000000       0.00000000       0.00000000 
           0.50000000       0.00000000       0.50000000 
           0.50000000       0.50000000       0.00000000 
           0.50000000       0.50000000       0.50000000 
           0.24998948       0.24998948       0.24998948 
           0.24998948       0.24998948       0.75001052 
           0.24998948       0.75001052       0.24998948 
           0.24998948       0.75001052       0.75001052 
           0.75001052       0.24998948       0.24998948 
           0.75001052       0.24998948       0.75001052 
           0.75001052       0.75001052       0.24998948 
           0.75001052       0.75001052       0.75001052 
           0.25000251       0.25000251       0.00000000 
           0.24990649       0.24990649       0.50000000 
           0.25000251       0.74999749       0.00000000 
           0.24990649       0.75009351       0.50000000 
           0.74999749       0.25000251       0.00000000 
           0.75009351       0.24990649       0.50000000 
           0.74999749       0.74999749       0.00000000 
           0.75009351       0.75009351       0.50000000 
           0.00000000       0.25000251       0.25000251 
           0.00000000       0.25000251       0.74999749 
           0.00000000       0.74999749       0.25000251 
           0.00000000       0.74999749       0.74999749 
           0.50000000       0.24990649       0.24990649 
           0.50000000       0.24990649       0.75009351 
           0.50000000       0.75009351       0.24990649 
           0.50000000       0.75009351       0.75009351 
           0.25000251       0.00000000       0.25000251 
           0.25000251       0.00000000       0.74999749 
           0.24990649       0.50000000       0.24990649 
           0.24990649       0.50000000       0.75009351 
           0.74999749       0.00000000       0.25000251 
           0.74999749       0.00000000       0.74999749 
           0.75009351       0.50000000       0.24990649 
           0.75009351       0.50000000       0.75009351 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       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 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.37500000 
          0.37500000 
          0.12500000 
  
 
 
  
   unknown system
    F  
  
  
   accura
       500.00000000
       575.89200000
         0.00001000
       38
       11
      256
       -1
       -1
       336.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      -100
         4
     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      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  
   
   
        60
        -5
         2
        500.00000000
    
      T  
      F  
           0.00100000
           0.00000001
           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
   
  
  
       90
       90
       90
      180
      180
      180
    F  
  
  
      100
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.54000000      2.35000000      1.25000000      1.47000000      1.14000000
      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
  
  
       64
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        22.99000000    132.90000000     65.39000000    207.20000000     79.90400000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   T  
       2
      -1
        0.00000000
        0.00000000
       0
       0
  
   PS
        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
        23.93450164
         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  
  
 
 
        40 
         5 
  
   ion
   element
   atomtype
   
    Na   1
    Na   1
    Na   1
    Na   1
    Na   1
    Na   1
    Na   1
    Cs   2
    Zn   3
    Pb   4
    Pb   4
    Pb   4
    Pb   4
    Pb   4
    Pb   4
    Pb   4
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
    Br   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       7Na     22.99000000      7.00000000  PAW_PBE Na_pv 19Sep2006               
       1Cs    132.90000000      9.00000000  PAW_PBE Cs_sv 08Apr2002               
       1Zn     65.39000000     12.00000000  PAW_PBE Zn 06Sep2000                  
       7Pb    207.20000000     14.00000000  PAW_PBE Pb_d 06Sep2000                
      24Br     79.90400000      7.00000000  PAW_PBE Br 06Sep2000                  
   
  
 
 
  
   
          11.68542135       0.00000000       0.00000000 
           0.00000000      11.68542135       0.00000000 
           0.00000000       0.00000000      11.68542135 
   
      1595.63344276 
   
           0.08557672       0.00000000       0.00000000 
           0.00000000       0.08557672       0.00000000 
           0.00000000       0.00000000       0.08557672 
   
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.50000000 
          0.24998948       0.24998948       0.24998948 
          0.24998948       0.24998948       0.75001052 
          0.24998948       0.75001052       0.24998948 
          0.24998948       0.75001052       0.75001052 
          0.75001052       0.24998948       0.24998948 
          0.75001052       0.24998948       0.75001052 
          0.75001052       0.75001052       0.24998948 
          0.75001052       0.75001052       0.75001052 
          0.25000251       0.25000251       0.00000000 
          0.24990649       0.24990649       0.50000000 
          0.25000251       0.74999749       0.00000000 
          0.24990649       0.75009351       0.50000000 
          0.74999749       0.25000251       0.00000000 
          0.75009351       0.24990649       0.50000000 
          0.74999749       0.74999749       0.00000000 
          0.75009351       0.75009351       0.50000000 
          0.00000000       0.25000251       0.25000251 
          0.00000000       0.25000251       0.74999749 
          0.00000000       0.74999749       0.25000251 
          0.00000000       0.74999749       0.74999749 
          0.50000000       0.24990649       0.24990649 
          0.50000000       0.24990649       0.75009351 
          0.50000000       0.75009351       0.24990649 
          0.50000000       0.75009351       0.75009351 
          0.25000251       0.00000000       0.25000251 
          0.25000251       0.00000000       0.74999749 
          0.24990649       0.50000000       0.24990649 
          0.24990649       0.50000000       0.75009351 
          0.74999749       0.00000000       0.25000251 
          0.74999749       0.00000000       0.74999749 
          0.75009351       0.50000000       0.24990649 
          0.75009351       0.50000000       0.75009351 
  
 
 
  
      21.05   21.18
      21.22   21.40
   
        636.26139677 
     -16440.23293007 
      -9301.77364295 
        752.66075026 
      22510.24491998 
     -22985.59608475 
         -0.02738698 
       -233.06088338 
      28123.32196649 
       3061.79810537 
       3061.82549235 
       3061.81179886 
   
  
  
      21.45   21.58
      21.45   21.58
   
        280.36313181 
        280.37343106 
        280.36828144 
   
  
  
      27.22   27.42
      27.22   27.42
   
       -114.69243444 
       -114.69243444 
       -114.69243444 
   
  
  
      24.11   24.25
      24.11   24.25
   
       -127.62949095 
       -127.62949095 
       -127.62949095 
   
  
  
      26.16   26.32
      26.70   26.87
   
       -128.00661103 
       -128.00661103 
       -128.00661103 
   
  
  
      27.68   27.84
      28.34   28.53
   
       -122.75166828 
       -122.75166825 
       -122.75166827 
   
  
  
      29.71   29.88
      30.38   30.57
   
       -121.96318419 
       -121.95985882 
       -121.96152151 
   
  
  
      25.61   25.76
      26.28   26.44
   
       -121.88956998 
       -121.88863161 
       -121.88910079 
   
  
  
      24.57   24.73
      25.23   25.42
   
       -121.86483546 
       -121.86252063 
       -121.86367804 
   
  
  
      24.06   24.20
      24.73   24.88
   
       -121.86392678 
       -121.86233154 
       -121.86312916 
   
  
  
      24.08   24.23
      24.75   24.90
   
       -121.86428866 
       -121.86280498 
       -121.86354682 
   
  
  
      29.21   29.38
      29.88   30.09
   
       -121.86434121 
       -121.86289231 
       -121.86361676 
   
  
  
      26.16   26.31
      26.83   27.00
   
       -121.86437370 
       -121.86286113 
       -121.86361741 
   
  
  
      22.10   22.23
      22.22   22.36
   
        636.26139677 
     -16440.23293007 
      -9349.62219229 
        763.12378175 
      24366.15093505 
     -24826.65307993 
         -0.00153003 
      -3394.21272604 
      28123.32196649 
       -121.86437830 
       -121.86284827 
       -121.86361328 
   
  
  
   
    
           11.68542135       0.00000000       0.00000000 
            0.00000000      11.68542135       0.00000000 
            0.00000000       0.00000000      11.68542135 
    
       1595.63344276 
    
            0.08557672       0.00000000       0.00000000 
            0.00000000       0.08557672       0.00000000 
            0.00000000       0.00000000       0.08557672 
    
   
   
           0.00000000       0.00000000       0.00000000 
           0.00000000       0.00000000       0.50000000 
           0.00000000       0.50000000       0.00000000 
           0.00000000       0.50000000       0.50000000 
           0.50000000       0.00000000       0.00000000 
           0.50000000       0.00000000       0.50000000 
           0.50000000       0.50000000       0.00000000 
           0.50000000       0.50000000       0.50000000 
           0.24998948       0.24998948       0.24998948 
           0.24998948       0.24998948       0.75001052 
           0.24998948       0.75001052       0.24998948 
           0.24998948       0.75001052       0.75001052 
           0.75001052       0.24998948       0.24998948 
           0.75001052       0.24998948       0.75001052 
           0.75001052       0.75001052       0.24998948 
           0.75001052       0.75001052       0.75001052 
           0.25000251       0.25000251       0.00000000 
           0.24990649       0.24990649       0.50000000 
           0.25000251       0.74999749       0.00000000 
           0.24990649       0.75009351       0.50000000 
           0.74999749       0.25000251       0.00000000 
           0.75009351       0.24990649       0.50000000 
           0.74999749       0.74999749       0.00000000 
           0.75009351       0.75009351       0.50000000 
           0.00000000       0.25000251       0.25000251 
           0.00000000       0.25000251       0.74999749 
           0.00000000       0.74999749       0.25000251 
           0.00000000       0.74999749       0.74999749 
           0.50000000       0.24990649       0.24990649 
           0.50000000       0.24990649       0.75009351 
           0.50000000       0.75009351       0.24990649 
           0.50000000       0.75009351       0.75009351 
           0.25000251       0.00000000       0.25000251 
           0.25000251       0.00000000       0.74999749 
           0.24990649       0.50000000       0.24990649 
           0.24990649       0.50000000       0.75009351 
           0.74999749       0.00000000       0.25000251 
           0.74999749       0.00000000       0.74999749 
           0.75009351       0.50000000       0.24990649 
           0.75009351       0.50000000       0.75009351 
   
  
  
          0.01784175       0.01784175       0.01784175 
          0.01770881       0.01770881      -0.01784093 
          0.01770881      -0.01784093       0.01770881 
          0.01754421      -0.01773923      -0.01773923 
         -0.01784093       0.01770881       0.01770881 
         -0.01773923       0.01754421      -0.01773923 
         -0.01773923      -0.01773923       0.01754421 
         -0.01883926      -0.01883926      -0.01883926 
         -0.00235932      -0.00235932      -0.00235932 
         -0.00238671      -0.00238671       0.00267315 
         -0.00238671       0.00267315      -0.00238671 
         -0.00177345       0.00234744       0.00234744 
          0.00267315      -0.00238671      -0.00238671 
          0.00234744      -0.00177345       0.00234744 
          0.00234744       0.00234744      -0.00177345 
          0.00176478       0.00176478       0.00176478 
          0.00041633       0.00041633       0.97469232 
         -0.01907784      -0.01907784      -0.97324097 
          0.00031371      -0.00045107       0.00625129 
         -0.01881331       0.01851920      -0.00638339 
         -0.00045107       0.00031371       0.00625129 
          0.01851920      -0.01881331      -0.00638339 
         -0.00033210      -0.00033210       0.00028210 
          0.01942120       0.01942120      -0.00033301 
          0.97469232       0.00041633       0.00041633 
          0.00625129       0.00031371      -0.00045107 
          0.00625129      -0.00045107       0.00031371 
          0.00028210      -0.00033210      -0.00033210 
         -0.97324097      -0.01907784      -0.01907784 
         -0.00638339      -0.01881331       0.01851920 
         -0.00638339       0.01851920      -0.01881331 
         -0.00033301       0.01942120       0.01942120 
          0.00041633       0.97469232       0.00041633 
          0.00031371       0.00625129      -0.00045107 
         -0.01907784      -0.97324097      -0.01907784 
         -0.01881331      -0.00638339       0.01851920 
         -0.00045107       0.00625129       0.00031371 
         -0.00033210       0.00028210      -0.00033210 
          0.01851920      -0.00638339      -0.01881331 
          0.01942120      -0.00033301       0.01942120 
  
  
         -6.73230400      -0.00107673      -0.00107673 
         -0.00107673      -6.73230400      -0.00107673 
         -0.00107673      -0.00107673      -6.73230400 
  
  
      -121.86437830 
      -121.86284827 
      -121.86361328 
  
    399.49  402.25
 
 
  
      20.98   21.10
      21.65   21.78
   
        651.94970768 
     -16578.32153701 
      -9422.24547922 
        771.32629353 
      24367.13420026 
     -24827.63569513 
         -0.00603556 
      -3209.22227411 
      28123.32196649 
       -123.69885308 
       -123.69281752 
       -123.69583530 
   
  
  
      25.09   25.24
      25.75   25.93
   
       -122.47027212 
       -122.46992787 
       -122.47009999 
   
  
  
      28.69   28.86
      29.36   29.54
   
       -122.24660033 
       -122.24658471 
       -122.24659252 
   
  
  
      28.68   28.84
      29.36   29.53
   
       -122.23941644 
       -122.23939793 
       -122.23940719 
   
  
  
      26.11   26.28
      26.78   26.97
   
       -122.23643642 
       -122.23641388 
       -122.23642515 
   
  
  
      24.06   24.22
      24.73   24.89
   
       -122.23648949 
       -122.23646710 
       -122.23647830 
   
  
  
      25.15   25.30