vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 07 14 
  09:28:35 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      1.11000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.61003000       0.00000000       0.00000000 
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       1089.58961266 
    
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           0.15392610       0.12907819       0.73604542 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
  
 
 
  
          2        2        1 
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          0.25000000 
          0.25000000 
          0.25000000 
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   No title
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   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      135
       -1
       -1
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        0
        0
        0
        0
         0.00000000
   
         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
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     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
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           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
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          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
       40
      108
       80
       80
      216
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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         0.00010000
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        1
      256
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        2
         0.00001000
  
  
        0
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      301
        10.00000000
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        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  
        14.00100000     28.08500000      1.00000000
         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
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         1.00000000
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        1
        1
        1
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    F  
        0
        0
    F  
         0.00000000
         0.00000000
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    F  
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        0
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    F  
    F  
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    F  
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    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
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       -1
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        0
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       -1
       60
        1
        3
        4
        0
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
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    F  
  
 
 
        56 
         3 
  
   ion
   element
   atomtype
   
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      24N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      19Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.61003000       0.00000000       0.00000000 
          -3.80501500       6.59047930       0.00000000 
           0.00000000       0.00000000      21.72499000 
   
      1089.58961266 
   
           0.13140553       0.07586702       0.00000000 
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          0.83046080       0.59822599       0.57214792 
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          0.20056285       0.38443958       0.81962069 
          0.15392610       0.12907819       0.73604542 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       0.85    0.87
       1.05    1.06
   
        135.94926531 
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       1.02    1.03
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       0.94    0.95
       0.94    0.95
   
       -431.47148413 
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       0.99    1.00
       0.99    1.00
   
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       0.99    1.00
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       0.92    0.92
       1.15    1.15
   
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       0.98    0.98
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       0.91    0.92
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       0.92    0.93
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       0.93    0.94
       1.16    1.17
   
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       0.92    0.93
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       0.92    0.92
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       0.92    0.93
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       0.91    0.92
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       0.90    0.91
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       0.90    0.91
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       0.95    0.96
       1.18    1.19
   
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       0.85    0.86
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       0.83    0.83
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       0.75    0.76
       0.98    0.99
   
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       0.75    0.75
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       0.74    0.75
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       0.72    0.72
       0.95    0.96
   
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       -385.26826184 
   
  
  
       0.70    0.71
       0.94    0.94
   
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       0.74    0.75
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