vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  16:14:32 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      242.67600000
        1.30000000      1.41000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08256777       0.08408866       0.20050433 
          0.37914954       0.25508476       0.67194060 
          0.08256777       0.08408866       0.52685658 
          0.24923444       0.25075533       0.47246516 
          0.08256777       0.08408866       0.41807375 
          0.24923444       0.25075533       0.58124799 
          0.41187770       0.74438666       0.69230820 
          0.24923444       0.25075533       0.25489887 
          0.08256777       0.08408866       0.30929092 
          0.24923444       0.25075533       0.69003082 
          0.08256777       0.08408866       0.63563941 
          0.24923444       0.25075533       0.36368233 
          0.08256777       0.41742200       0.20050433 
          0.30059418       0.40162575       0.74944398 
          0.08256777       0.41742200       0.52685658 
          0.24923444       0.58408866       0.47246516 
          0.08256777       0.41742200       0.41807375 
          0.24923444       0.58408866       0.58124799 
          0.97617439       0.20581301       0.97802762 
          0.24923444       0.58408866       0.25489887 
          0.08256777       0.41742200       0.30929092 
          0.24923444       0.58408866       0.69003082 
          0.08256777       0.41742200       0.63563941 
          0.24923444       0.58408866       0.36368233 
          0.08256777       0.75075533       0.20050433 
          0.63724332       0.76531600       0.02042119 
          0.08256777       0.75075533       0.52685658 
          0.24923444       0.91742200       0.47246516 
          0.08256777       0.75075533       0.41807375 
          0.24923444       0.91742200       0.58124799 
          0.81958521       0.36789061       0.94596982 
          0.24923444       0.91742200       0.25489887 
          0.08256777       0.75075533       0.30929092 
          0.24923444       0.91742200       0.69003082 
          0.08256777       0.75075533       0.63563941 
          0.24923444       0.91742200       0.36368233 
          0.41590111       0.08408866       0.20050433 
          0.02696607       0.54456457       0.72747173 
          0.41590111       0.08408866       0.52685658 
          0.58256777       0.25075533       0.47246516 
          0.41590111       0.08408866       0.41807375 
          0.58256777       0.25075533       0.58124799 
          0.81603949       0.33405898       0.95234625 
          0.58256777       0.25075533       0.25489887 
          0.41590111       0.08408866       0.30929092 
          0.58256777       0.25075533       0.69003082 
          0.41590111       0.08408866       0.63563941 
          0.58256777       0.25075533       0.36368233 
          0.41590111       0.41742200       0.20050433 
          0.94919319       0.05733577       0.66692769 
          0.41590111       0.41742200       0.52685658 
          0.58256777       0.58408866       0.47246516 
          0.41590111       0.41742200       0.41807375 
          0.58256777       0.58408866       0.58124799 
          0.07271731       0.74614606       0.87865866 
          0.58256777       0.58408866       0.25489887 
          0.41590111       0.41742200       0.30929092 
          0.58256777       0.58408866       0.69003082 
          0.41590111       0.41742200       0.63563941 
          0.58256777       0.58408866       0.36368233 
          0.41590111       0.75075533       0.20050433 
          0.78215740       0.89425271       0.74716413 
          0.41590111       0.75075533       0.52685658 
          0.58256777       0.91742200       0.47246516 
          0.41590111       0.75075533       0.41807375 
          0.58256777       0.91742200       0.58124799 
          0.18906838       0.93091763       0.13454909 
          0.58256777       0.91742200       0.25489887 
          0.41590111       0.75075533       0.30929092 
          0.58256777       0.91742200       0.69003082 
          0.41590111       0.75075533       0.63563941 
          0.58256777       0.91742200       0.36368233 
          0.74923444       0.08408866       0.20050433 
          0.76110849       0.40821294       0.91211781 
          0.74923444       0.08408866       0.52685658 
          0.91590111       0.25075533       0.47246516 
          0.74923444       0.08408866       0.41807375 
          0.91590111       0.25075533       0.58124799 
          0.95657966       0.16939367       0.97924667 
          0.91590111       0.25075533       0.25489887 
          0.74923444       0.08408866       0.30929092 
          0.91590111       0.25075533       0.69003082 
          0.74923444       0.08408866       0.63563941 
          0.91590111       0.25075533       0.36368233 
          0.74923444       0.41742200       0.20050433 
          0.61197215       0.14786520       0.73004818 
          0.74923444       0.41742200       0.52685658 
          0.91590111       0.58408866       0.47246516 
          0.74923444       0.41742200       0.41807375 
          0.91590111       0.58408866       0.58124799 
          0.84326474       0.36012265       0.14886838 
          0.91590111       0.58408866       0.25489887 
          0.74923444       0.41742200       0.30929092 
          0.91590111       0.58408866       0.69003082 
          0.74923444       0.41742200       0.63563941 
          0.91590111       0.58408866       0.36368233 
          0.74923444       0.75075533       0.20050433 
          0.87613532       0.74823941       0.65437883 
          0.74923444       0.75075533       0.52685658 
          0.91590111       0.91742200       0.47246516 
          0.74923444       0.75075533       0.41807375 
          0.91590111       0.91742200       0.58124799 
          0.40953582       0.08202882       0.88926687 
          0.91590111       0.91742200       0.25489887 
          0.74923444       0.75075533       0.30929092 
          0.91590111       0.91742200       0.69003082 
          0.74923444       0.75075533       0.63563941 
          0.91590111       0.91742200       0.36368233 
          0.41922861       0.77522276       0.00751709 
  
 
 
          1 
          2 
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        100 
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        102 
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        104 
        105 
        106 
        107 
        108 
        109 
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       242.67600000
       446.01400000
         0.00001000
       38
       10
      916
       -1
       -1
      1526.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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      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
        242.67600000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       36
       36
      112
       72
       72
      224
    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
         1.30000000      1.41000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        95.94000000    118.71000000
         0.00000000      0.00000000
         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
        13.99468800
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       109 
         2 
  
   ion
   element
   atomtype
   
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Sn   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     108Mo     95.94000000     14.00000000  PAW_PBE Mo_sv 02Feb2006               
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
   
  
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08256777       0.08408866       0.20050433 
          0.37914954       0.25508476       0.67194060 
          0.08256777       0.08408866       0.52685658 
          0.24923444       0.25075533       0.47246516 
          0.08256777       0.08408866       0.41807375 
          0.24923444       0.25075533       0.58124799 
          0.41187770       0.74438666       0.69230820 
          0.24923444       0.25075533       0.25489887 
          0.08256777       0.08408866       0.30929092 
          0.24923444       0.25075533       0.69003082 
          0.08256777       0.08408866       0.63563941 
          0.24923444       0.25075533       0.36368233 
          0.08256777       0.41742200       0.20050433 
          0.30059418       0.40162575       0.74944398 
          0.08256777       0.41742200       0.52685658 
          0.24923444       0.58408866       0.47246516 
          0.08256777       0.41742200       0.41807375 
          0.24923444       0.58408866       0.58124799 
          0.97617439       0.20581301       0.97802762 
          0.24923444       0.58408866       0.25489887 
          0.08256777       0.41742200       0.30929092 
          0.24923444       0.58408866       0.69003082 
          0.08256777       0.41742200       0.63563941 
          0.24923444       0.58408866       0.36368233 
          0.08256777       0.75075533       0.20050433 
          0.63724332       0.76531600       0.02042119 
          0.08256777       0.75075533       0.52685658 
          0.24923444       0.91742200       0.47246516 
          0.08256777       0.75075533       0.41807375 
          0.24923444       0.91742200       0.58124799 
          0.81958521       0.36789061       0.94596982 
          0.24923444       0.91742200       0.25489887 
          0.08256777       0.75075533       0.30929092 
          0.24923444       0.91742200       0.69003082 
          0.08256777       0.75075533       0.63563941 
          0.24923444       0.91742200       0.36368233 
          0.41590111       0.08408866       0.20050433 
          0.02696607       0.54456457       0.72747173 
          0.41590111       0.08408866       0.52685658 
          0.58256777       0.25075533       0.47246516 
          0.41590111       0.08408866       0.41807375 
          0.58256777       0.25075533       0.58124799 
          0.81603949       0.33405898       0.95234625 
          0.58256777       0.25075533       0.25489887 
          0.41590111       0.08408866       0.30929092 
          0.58256777       0.25075533       0.69003082 
          0.41590111       0.08408866       0.63563941 
          0.58256777       0.25075533       0.36368233 
          0.41590111       0.41742200       0.20050433 
          0.94919319       0.05733577       0.66692769 
          0.41590111       0.41742200       0.52685658 
          0.58256777       0.58408866       0.47246516 
          0.41590111       0.41742200       0.41807375 
          0.58256777       0.58408866       0.58124799 
          0.07271731       0.74614606       0.87865866 
          0.58256777       0.58408866       0.25489887 
          0.41590111       0.41742200       0.30929092 
          0.58256777       0.58408866       0.69003082 
          0.41590111       0.41742200       0.63563941 
          0.58256777       0.58408866       0.36368233 
          0.41590111       0.75075533       0.20050433 
          0.78215740       0.89425271       0.74716413 
          0.41590111       0.75075533       0.52685658 
          0.58256777       0.91742200       0.47246516 
          0.41590111       0.75075533       0.41807375 
          0.58256777       0.91742200       0.58124799 
          0.18906838       0.93091763       0.13454909 
          0.58256777       0.91742200       0.25489887 
          0.41590111       0.75075533       0.30929092 
          0.58256777       0.91742200       0.69003082 
          0.41590111       0.75075533       0.63563941 
          0.58256777       0.91742200       0.36368233 
          0.74923444       0.08408866       0.20050433 
          0.76110849       0.40821294       0.91211781 
          0.74923444       0.08408866       0.52685658 
          0.91590111       0.25075533       0.47246516 
          0.74923444       0.08408866       0.41807375 
          0.91590111       0.25075533       0.58124799 
          0.95657966       0.16939367       0.97924667 
          0.91590111       0.25075533       0.25489887 
          0.74923444       0.08408866       0.30929092 
          0.91590111       0.25075533       0.69003082 
          0.74923444       0.08408866       0.63563941 
          0.91590111       0.25075533       0.36368233 
          0.74923444       0.41742200       0.20050433 
          0.61197215       0.14786520       0.73004818 
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