vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:17 
 
 
  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 
    
   
   
           0.63357717       0.35674849       0.50308104 
           0.66218867       0.35920420       0.56145353 
           0.64593547       0.29173554       0.48483284 
           0.31170520       0.75469802       0.61742124 
           0.23399298       0.71267722       0.64991463 
           0.30992734       0.68102358       0.71878479 
           0.28507388       0.76180708       0.35500308 
           0.23672449       0.83075789       0.43547984 
           0.32739351       0.85225130       0.41907350 
           0.23076368       0.35369435       0.63303872 
           0.29691432       0.34116463       0.56370737 
           0.29486279       0.45914473       0.61544899 
           0.32341741       0.20289478       0.47737240 
           0.24331238       0.24768859       0.51547491 
           0.24965585       0.21911238       0.39754043 
           0.18040525       0.72292270       0.54895603 
           0.16721177       0.66458025       0.43911154 
           0.17234960       0.59788617       0.54790688 
           0.16037382       0.47028382       0.42823158 
           0.20956338       0.41891928       0.33227730 
           0.16898205       0.34850801       0.42550431 
           0.28750715       0.54553658       0.37843896 
           0.33953920       0.52476870       0.48721788 
           0.29091756       0.53026137       0.45196255 
           0.28841152       0.69940542       0.65445805 
           0.28716785       0.80101924       0.41802849 
           0.26899389       0.39434700       0.60027689 
           0.27965317       0.24381895       0.45492095 
           0.18030403       0.66047843       0.51007377 
           0.18163913       0.41232852       0.39376997 
           0.25070775       0.41779958       0.46729257 
           0.27130031       0.63966801       0.50458714 
           0.30334123       0.62075660       0.60334926 
           0.31103937       0.73685614       0.48448093 
           0.20056108       0.42071962       0.56042540 
           0.30515514       0.32972736       0.42734196 
   
  
  
           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
       81
       -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
  
  
        3
        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 
   
  
  
          0.63357717       0.35674849       0.50308104 
          0.66218867       0.35920420       0.56145353 
          0.64593547       0.29173554       0.48483284 
          0.31170520       0.75469802       0.61742124 
          0.23399298       0.71267722       0.64991463 
          0.30992734       0.68102358       0.71878479 
          0.28507388       0.76180708       0.35500308 
          0.23672449       0.83075789       0.43547984 
          0.32739351       0.85225130       0.41907350 
          0.23076368       0.35369435       0.63303872 
          0.29691432       0.34116463       0.56370737 
          0.29486279       0.45914473       0.61544899 
          0.32341741       0.20289478       0.47737240 
          0.24331238       0.24768859       0.51547491 
          0.24965585       0.21911238       0.39754043 
          0.18040525       0.72292270       0.54895603 
          0.16721177       0.66458025       0.43911154 
          0.17234960       0.59788617       0.54790688 
          0.16037382       0.47028382       0.42823158 
          0.20956338       0.41891928       0.33227730 
          0.16898205       0.34850801       0.42550431 
          0.28750715       0.54553658       0.37843896 
          0.33953920       0.52476870       0.48721788 
          0.29091756       0.53026137       0.45196255 
          0.28841152       0.69940542       0.65445805 
          0.28716785       0.80101924       0.41802849 
          0.26899389       0.39434700       0.60027689 
          0.27965317       0.24381895       0.45492095 
          0.18030403       0.66047843       0.51007377 
          0.18163913       0.41232852       0.39376997 
          0.25070775       0.41779958       0.46729257 
          0.27130031       0.63966801       0.50458714 
          0.30334123       0.62075660       0.60334926 
          0.31103937       0.73685614       0.48448093 
          0.20056108       0.42071962       0.56042540 
          0.30515514       0.32972736       0.42734196 
  
 
 
  
      37.16   37.20
      47.70   47.74
   
          6.34847707 
       6180.45271809 
      -8746.00030675 
        265.34393608 
       2564.72054280 
      -2541.99018201 
         -0.00552727 
       -574.68752871 
       3504.07976474 
        658.26189404 
        658.26742131 
        658.26373647 
   
  
  
      47.90   48.02
      47.91   48.02
   
         91.41500423 
         91.40857652 
         91.41286166 
   
  
  
      42.88   43.02
      42.88   43.02
   
       -142.18307828 
       -142.18775881 
       -142.18463845 
   
  
  
      41.47   41.62
      41.47   41.62
   
       -162.33007042 
       -162.34369770 
       -162.33461285 
   
  
  
      41.55   41.73
      42.74   42.92
   
       -162.72641290 
       -162.74007054 
       -162.73096545 
   
  
  
      36.13   36.36
      46.41   46.61
   
        -68.52917438 
        -68.53537285 
        -68.53124053 
   
  
  
      39.36   39.54
      48.15   48.32
   
       -117.42595068 
       -117.43178100 
       -117.42789412 
   
  
  
      38.05   38.22
      44.18   44.35
   
       -131.68093114 
       -131.68673810 
       -131.68286679 
   
  
  
      34.65   34.81
      40.68   40.84
   
       -157.25532156 
       -157.26211979 
       -157.25758764 
   
  
  
      37.92   38.09
      44.05   44.21
   
       -169.00685182 
       -169.01676580 
       -169.01015648 
   
  
  
      35.15   35.36
      41.85   42.05
   
       -176.31159700 
       -176.32238076 
       -176.31519159 
   
  
  
      35.99   36.18
      43.66   43.85
   
       -181.40939042 
       -181.42229384 
       -181.41369156 
   
  
  
      37.89   38.08
      48.29   48.46
   
       -182.98290854 
       -182.99576544 
       -182.98719417 
   
  
  
      36.28   36.44
      45.63   45.78
   
       -184.14141002 
       -184.15390331 
       -184.14557445 
   
  
  
      37.86   38.04
      47.59   47.76
   
       -184.62547441 
       -184.63763475 
       -184.62952786 
   
  
  
      36.71   36.91
      45.92   46.11
   
       -185.07270224 
       -185.08463496 
       -185.07667982 
   
  
  
      39.07   39.36
      47.24   47.51
   
       -185.28272678 
       -185.29458714 
       -185.28668023 
   
  
  
      37.39   37.64
      47.21   47.45
   
       -185.41459006 
       -185.42639518 
       -185.41852510 
   
  
  
      38.97   39.14
      48.06   48.21
   
       -185.46648074 
       -185.47824902 
       -185.47040350