vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  21:02:18 
 
 
  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 
    
   
   
           0.87389871       0.51121692       0.10877061 
           0.87280124       0.24060178       0.43039059 
           0.13717053       0.46430856       0.18325421 
           0.12247677       0.29263070       0.34550117 
           0.82896232       0.32970671       0.02805112 
           0.92193838       0.41685639       0.50370333 
           0.08337256       0.33963582       0.15047873 
           0.16744486       0.41434010       0.37603274 
           0.81730409       0.54612968       0.52517551 
           0.77471710       0.24298183       0.88013763 
           0.05997040       0.49976233       0.63216155 
           0.03068654       0.20660643       0.77141429 
           0.88948449       0.31078022       0.60612859 
           0.85686795       0.43917185       0.93804510 
           0.14840081       0.32408602       0.72697252 
           0.10490379       0.43432506       0.81353084 
           0.38299173       0.52339494       0.10668170 
           0.37361230       0.24169240       0.43410917 
           0.62034639       0.45881353       0.19068093 
           0.62072761       0.29230991       0.35211470 
           0.33426726       0.33455363       0.02946751 
           0.40920032       0.43377859       0.51171123 
           0.58624664       0.33903723       0.15574521 
           0.67011467       0.45624498       0.40459150 
           0.29698150       0.54643666       0.52773228 
           0.27035577       0.24674397       0.88409079 
           0.59142051       0.51342478       0.65665133 
           0.52320355       0.20764434       0.77607095 
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           0.68488080       0.71107008       0.65162404 
           0.69231250       0.69505835       0.59341397 
           0.46147029       0.63055368       0.63893524 
           0.44292774       0.57928756       0.65034035 
   
  
  
           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
        -0.02000000
        0
         0.50000000
        -3.00000000
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         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
        -1.00000000
         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 
   
  
  
          0.87389871       0.51121692       0.10877061 
          0.87280124       0.24060178       0.43039059 
          0.13717053       0.46430856       0.18325421 
          0.12247677       0.29263070       0.34550117 
          0.82896232       0.32970671       0.02805112 
          0.92193838       0.41685639       0.50370333 
          0.08337256       0.33963582       0.15047873 
          0.16744486       0.41434010       0.37603274 
          0.81730409       0.54612968       0.52517551 
          0.77471710       0.24298183       0.88013763 
          0.05997040       0.49976233       0.63216155 
          0.03068654       0.20660643       0.77141429 
          0.88948449       0.31078022       0.60612859 
          0.85686795       0.43917185       0.93804510 
          0.14840081       0.32408602       0.72697252 
          0.10490379       0.43432506       0.81353084 
          0.38299173       0.52339494       0.10668170 
          0.37361230       0.24169240       0.43410917 
          0.62034639       0.45881353       0.19068093 
          0.62072761       0.29230991       0.35211470 
          0.33426726       0.33455363       0.02946751 
          0.40920032       0.43377859       0.51171123 
          0.58624664       0.33903723       0.15574521 
          0.67011467       0.45624498       0.40459150 
          0.29698150       0.54643666       0.52773228 
          0.27035577       0.24674397       0.88409079 
          0.59142051       0.51342478       0.65665133 
          0.52320355       0.20764434       0.77607095 
          0.39389979       0.32107295       0.59573159 
          0.35428525       0.44462178       0.94114420 
          0.63979061       0.32369872       0.72764791 
          0.60347614       0.43292435       0.81845151 
          0.68488080       0.71107008       0.65162404 
          0.69231250       0.69505835       0.59341397 
          0.46147029       0.63055368       0.63893524 
          0.44292774       0.57928756       0.65034035 
  
 
 
  
      13.24   13.27
      13.97   14.00
   
         24.83226377 
       8720.94878789 
     -11862.54144714 
       -270.18713319 
       3027.27271826 
      -2465.30175395 
         -0.01457382 
       -194.43155058 
       3600.01477972 
        580.59209096 
        580.60666478 
        580.59694890 
   
  
  
      16.41   16.43
      16.42   16.43
   
        -95.72252949 
        -95.70344868 
        -95.71616922 
   
  
  
      15.98   15.99
      15.98   15.99
   
       -166.17564570 
       -166.17363036 
       -166.17497392 
   
  
  
      16.57   16.60
      16.58   16.60
   
       -169.05300234 
       -169.05420770 
       -169.05340413 
   
  
  
      17.29   17.31
      17.46   17.49
   
       -169.18987096 
       -169.19139701 
       -169.19037965 
   
  
  
      16.99   17.01
      17.67   17.68
   
      -2877.27457631 
      -2877.28958456 
      -2877.27957906 
   
  
  
      15.09   15.11
      15.70   15.72
   
       -126.11064956 
       -126.11957700 
       -126.11362538 
   
  
  
      16.68   16.71
      17.29   17.32
   
       -144.67933019 
       -144.68846430 
       -144.68237490 
   
  
  
      20.36   20.37
      20.96   20.97
   
      -5333.62906040 
      -5333.60416133 
      -5333.62076071