vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  06:34:28 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.87437715       0.51148225       0.10901664 
           0.87269607       0.24053233       0.43052766 
           0.13733065       0.46434391       0.18347665 
           0.12240358       0.29235916       0.34546400 
           0.82934689       0.32982908       0.02821061 
           0.92215505       0.41684713       0.50358288 
           0.08358209       0.33968520       0.15076052 
           0.16796660       0.41389578       0.37602329 
           0.81894460       0.54656492       0.52407034 
           0.77507118       0.24304522       0.88021794 
           0.05670739       0.49935739       0.63389042 
           0.03098114       0.20674465       0.77148402 
           0.88970975       0.31084396       0.60614849 
           0.85691710       0.43930580       0.93829473 
           0.14873438       0.32411741       0.72702997 
           0.10517432       0.43425553       0.81423583 
           0.38328365       0.52347425       0.10721276 
           0.37371926       0.24156885       0.43416634 
           0.62086767       0.45889771       0.19086054 
           0.62074027       0.29232254       0.35242464 
           0.33463088       0.33454723       0.02972520 
           0.41079528       0.43219946       0.51171034 
           0.58661948       0.33911431       0.15602499 
           0.67070971       0.45634916       0.40493970 
           0.30224499       0.54701308       0.52866145 
           0.27037507       0.24679629       0.88428409 
           0.58765964       0.51441991       0.65297631 
           0.52348632       0.20804565       0.77625872 
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           0.60331064       0.43374487       0.81805054 
           0.68306037       0.71016504       0.65620155 
           0.68960453       0.69333077       0.58903416 
           0.46741933       0.63038126       0.63981896 
           0.43401325       0.58011080       0.64630006 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      106
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
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      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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     14.00100000
         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
         0.00000000
         0.00000000
         1.00000000
         1.00000000
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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
      200
        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
  
  
    F  
  
 
 
        36 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    H    2
    N    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.87437715       0.51148225       0.10901664 
          0.87269607       0.24053233       0.43052766 
          0.13733065       0.46434391       0.18347665 
          0.12240358       0.29235916       0.34546400 
          0.82934689       0.32982908       0.02821061 
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          0.08358209       0.33968520       0.15076052 
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          0.81894460       0.54656492       0.52407034 
          0.77507118       0.24304522       0.88021794 
          0.05670739       0.49935739       0.63389042 
          0.03098114       0.20674465       0.77148402 
          0.88970975       0.31084396       0.60614849 
          0.85691710       0.43930580       0.93829473 
          0.14873438       0.32411741       0.72702997 
          0.10517432       0.43425553       0.81423583 
          0.38328365       0.52347425       0.10721276 
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          0.33463088       0.33454723       0.02972520 
          0.41079528       0.43219946       0.51171034 
          0.58661948       0.33911431       0.15602499 
          0.67070971       0.45634916       0.40493970 
          0.30224499       0.54701308       0.52866145 
          0.27037507       0.24679629       0.88428409 
          0.58765964       0.51441991       0.65297631 
          0.52348632       0.20804565       0.77625872 
          0.39413453       0.32082600       0.59587489 
          0.35400008       0.44478628       0.94173017 
          0.64013902       0.32419964       0.72799524 
          0.60331064       0.43374487       0.81805054 
          0.68306037       0.71016504       0.65620155 
          0.68960453       0.69333077       0.58903416 
          0.46741933       0.63038126       0.63981896 
          0.43401325       0.58011080       0.64630006 
  
 
 
  
      13.27   13.34
      13.79   13.86
   
         24.83226377 
       8716.13188680 
     -11858.11052037 
       -270.18514950 
       3027.27271826 
      -2465.30175395 
         -0.01763881 
       -194.16510447 
       3600.01477972 
        580.47148145 
        580.48912026 
        580.47736105 
   
  
  
      16.30   16.32
      16.30   16.32
   
        -96.31501979 
        -96.29869598 
        -96.30957852 
   
  
  
      15.85   15.87
      15.86   15.87
   
       -167.01463590 
       -167.01809226 
       -167.01578802 
   
  
  
      16.56   16.57
      16.56   16.58
   
       -169.91139075 
       -169.91711910 
       -169.91330020 
   
  
  
      17.38   17.39
      17.62   17.64
   
       -170.04558863 
       -170.05135961 
       -170.04751229 
   
  
  
      17.16   17.17
      17.87   17.88
   
      -5963.71287611 
      -5963.67850305 
      -5963.70141842 
   
  
  
      15.32   15.34
      15.90   15.91
   
       -132.65344383 
       -132.67900549 
       -132.66196439 
   
  
  
      16.22   16.24
      16.80   16.83
   
       -144.92229679 
       -144.91651955 
       -144.92037104