vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 02 20 
  05:54:28 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
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       2
       2
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      60
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       3375.00000000 
    
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           1 
           2 
           3 
           4 
           5 
           6 
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           8 
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          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
  
 
 
  
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
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   normal
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     T  
   
   
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         0
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         2
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         -1.00000000
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     F  
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        60
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      T  
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       80
       80
       80
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        1
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        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
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    T  
  
   T  
   F  
       0
   F  
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   --
        1
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    F  
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    T  
        0
       -1     0     0     0
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    F  
    F  
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    F  
        2
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    F  
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    F  
  
 
 
        40 
         5 
  
   ion
   element
   atomtype
   
    Sn   1
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    N    4
    N    4
    N    4
    N    4
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      26H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
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      3375.00000000 
   
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          0.28387463       0.62904207       0.39321563 
          0.64278539       0.61374867       0.43316444 
          0.54269290       0.68163010       0.38851742 
  
 
 
  
       0.50    0.53
       1.98    2.00
   
         12.10786487 
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        693.25136417 
   
  
  
       0.59    0.59
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         51.80575251 
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       0.46    0.46
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       0.49    0.49
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