vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  18:17:14 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.71007049       0.35025748       0.48379166 
           0.71969701       0.36969104       0.54918164 
           0.69311246       0.28505283       0.49164386 
           0.27763457       0.75215858       0.68180571 
           0.19384916       0.70917648       0.68324139 
           0.25548453       0.66407026       0.75687385 
           0.33326473       0.73741074       0.36221995 
           0.26235559       0.80217682       0.39665539 
           0.34506852       0.83624198       0.42684725 
           0.15503017       0.39147817       0.65474786 
           0.23951257       0.35432060       0.64027423 
           0.22236862       0.47068736       0.65735075 
           0.33382403       0.20206007       0.49474654 
           0.24685786       0.22923120       0.50130500 
           0.28824462       0.22306906       0.39438550 
           0.15443228       0.71880909       0.50724901 
           0.17456034       0.66787035       0.40383849 
           0.14433318       0.60150579       0.49338177 
           0.17575561       0.47575539       0.34119441 
           0.24917147       0.42795892       0.29298152 
           0.18693270       0.35825749       0.34263593 
           0.32294040       0.55434287       0.40200277 
           0.34969127       0.52496728       0.51051844 
           0.30437721       0.53546722       0.46945934 
           0.24722556       0.69127274       0.68967685 
           0.31229662       0.77799032       0.41707086 
           0.20398064       0.40870306       0.62589397 
           0.29435272       0.24575365       0.46512357 
           0.17634823       0.65883377       0.47671271 
           0.21340981       0.42218503       0.34876728 
           0.25904505       0.42317196       0.45905497 
           0.26345457       0.63883209       0.51723870 
           0.26615261       0.62475098       0.62693098 
           0.30982640       0.72951276       0.49831488 
           0.19572734       0.42015789       0.53204191 
           0.31018043       0.34201323       0.47108081 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     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
     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
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
         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
        75.00000000
         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
      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 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.71007049       0.35025748       0.48379166 
          0.71969701       0.36969104       0.54918164 
          0.69311246       0.28505283       0.49164386 
          0.27763457       0.75215858       0.68180571 
          0.19384916       0.70917648       0.68324139 
          0.25548453       0.66407026       0.75687385 
          0.33326473       0.73741074       0.36221995 
          0.26235559       0.80217682       0.39665539 
          0.34506852       0.83624198       0.42684725 
          0.15503017       0.39147817       0.65474786 
          0.23951257       0.35432060       0.64027423 
          0.22236862       0.47068736       0.65735075 
          0.33382403       0.20206007       0.49474654 
          0.24685786       0.22923120       0.50130500 
          0.28824462       0.22306906       0.39438550 
          0.15443228       0.71880909       0.50724901 
          0.17456034       0.66787035       0.40383849 
          0.14433318       0.60150579       0.49338177 
          0.17575561       0.47575539       0.34119441 
          0.24917147       0.42795892       0.29298152 
          0.18693270       0.35825749       0.34263593 
          0.32294040       0.55434287       0.40200277 
          0.34969127       0.52496728       0.51051844 
          0.30437721       0.53546722       0.46945934 
          0.24722556       0.69127274       0.68967685 
          0.31229662       0.77799032       0.41707086 
          0.20398064       0.40870306       0.62589397 
          0.29435272       0.24575365       0.46512357 
          0.17634823       0.65883377       0.47671271 
          0.21340981       0.42218503       0.34876728 
          0.25904505       0.42317196       0.45905497 
          0.26345457       0.63883209       0.51723870 
          0.26615261       0.62475098       0.62693098 
          0.30982640       0.72951276       0.49831488 
          0.19572734       0.42015789       0.53204191 
          0.31018043       0.34201323       0.47108081 
  
 
 
  
      42.67   42.81
      45.87   46.03
   
          6.34847707 
       5702.79700535 
      -8272.46249320 
        263.60406643 
       2564.72054280 
      -2541.99018201 
         -0.01848008 
       -538.31597044 
       3504.07976474 
        688.76273066 
        688.78121074 
        688.76889069 
   
  
  
      54.40   54.45
      54.40   54.46
   
        102.76753500 
        102.76547492 
        102.76684831 
   
  
  
      46.99   47.04
      47.00   47.04
   
       -146.21901665 
       -146.23489797 
       -146.22431042 
   
  
  
      46.58   46.63
      46.58   46.64
   
       -168.82378556 
       -168.84531617 
       -168.83096243 
   
  
  
      48.81   48.88
      49.55   49.62
   
       -169.30920981 
       -169.33089628 
       -169.31643863 
   
  
  
      42.12   42.22
      45.43   45.54
   
        -71.07603738 
        -71.09032627 
        -71.08080034 
   
  
  
      45.39   45.45
      48.18   48.25
   
       -121.94266238 
       -121.95637964 
       -121.94723480 
   
  
  
      42.93   43.03
      45.16   45.26
   
       -136.83970591 
       -136.85301099 
       -136.84414094 
   
  
  
      46.30   46.45
      49.21   49.37
   
       -163.28510643 
       -163.30281985 
       -163.29101090 
   
  
  
      98.29   98.35
     101.15  101.21
   
       -174.56014504 
       -174.58053497 
       -174.56694168