vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  12:05:57 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       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 
    
   
   
           0.89014533       0.18790723       0.26980477 
           0.92196761       0.33224733       0.95482294 
           0.61085307       0.37203425       0.31482048 
           0.37418745       0.61941852       0.92079483 
           0.74369393       0.04425167       0.60685470 
           0.94508758       0.26712648       0.55860275 
           0.77238512       0.58791942       0.35184149 
           0.22147310       0.83849713       0.82436260 
           0.69039796       0.55099952       0.00833904 
           0.44894691       0.98019730       0.11571759 
           0.99287320       0.83862085       0.45498981 
           0.96727230       0.06522441       0.63671063 
           0.56580837       0.30626521       0.72579544 
           0.73606904       0.79491885       0.01296277 
           0.63030885       0.88197499       0.97163298 
           0.73176695       0.24315175       0.43009283 
           0.31634668       0.40255503       0.91138473 
           0.68338192       0.48508437       0.67177884 
           0.32069200       0.92653785       0.85186867 
           0.81618636       0.65139973       0.61494160 
           0.99993645       0.24421532       0.05334931 
           0.17171757       0.07256371       0.96319786 
           0.91497820       0.37305006       0.36164370 
           0.62256437       0.82821538       0.06068644 
           0.83377214       0.04118771       0.19708289 
           0.94020831       0.90947378       0.20427836 
           0.67692446       0.07312775       0.30453924 
           0.84640510       0.23175213       0.04519967 
           0.93791726       0.77033628       0.10287183 
           0.43556089       0.30077483       0.71612339 
           0.77178564       0.85138658       0.98728402 
           0.32519565       0.67939375       0.00683502 
           0.56436316       0.68060110       0.38949028 
           0.24059426       0.11966734       0.98265739 
           0.31751348       0.47366508       0.66640094 
           0.42511858       0.59669447       0.79958606 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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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  
   
   
        60
        -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
       60
        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 
   
  
  
          0.89014533       0.18790723       0.26980477 
          0.92196761       0.33224733       0.95482294 
          0.61085307       0.37203425       0.31482048 
          0.37418745       0.61941852       0.92079483 
          0.74369393       0.04425167       0.60685470 
          0.94508758       0.26712648       0.55860275 
          0.77238512       0.58791942       0.35184149 
          0.22147310       0.83849713       0.82436260 
          0.69039796       0.55099952       0.00833904 
          0.44894691       0.98019730       0.11571759 
          0.99287320       0.83862085       0.45498981 
          0.96727230       0.06522441       0.63671063 
          0.56580837       0.30626521       0.72579544 
          0.73606904       0.79491885       0.01296277 
          0.63030885       0.88197499       0.97163298 
          0.73176695       0.24315175       0.43009283 
          0.31634668       0.40255503       0.91138473 
          0.68338192       0.48508437       0.67177884 
          0.32069200       0.92653785       0.85186867 
          0.81618636       0.65139973       0.61494160 
          0.99993645       0.24421532       0.05334931 
          0.17171757       0.07256371       0.96319786 
          0.91497820       0.37305006       0.36164370 
          0.62256437       0.82821538       0.06068644 
          0.83377214       0.04118771       0.19708289 
          0.94020831       0.90947378       0.20427836 
          0.67692446       0.07312775       0.30453924 
          0.84640510       0.23175213       0.04519967 
          0.93791726       0.77033628       0.10287183 
          0.43556089       0.30077483       0.71612339 
          0.77178564       0.85138658       0.98728402 
          0.32519565       0.67939375       0.00683502 
          0.56436316       0.68060110       0.38949028 
          0.24059426       0.11966734       0.98265739 
          0.31751348       0.47366508       0.66640094 
          0.42511858       0.59669447       0.79958606 
  
 
 
  
      40.06   40.21
      43.30   43.46
   
          6.34847707 
       -383.69105129 
      -2524.80351376 
        227.62123016 
       2564.72054280 
      -2541.99018201 
         -0.00273013 
       -342.67263314 
       3504.07976474 
        509.60990444 
        509.61263457 
        509.61081449 
   
  
  
      51.07   51.12
      51.07   51.13
   
        131.90019338 
        131.91309040 
        131.90449239 
   
  
  
      48.97   49.01
      48.97   49.01
   
        -48.92550161 
        -48.95924759 
        -48.93675027 
   
  
  
      44.36   44.40
      44.36   44.40
   
        -68.46700011 
        -68.53969741 
        -68.49123254 
   
  
  
      45.10   45.15
      45.73   45.78
   
        -68.98677272 
        -69.05856429 
        -69.01070324 
   
  
  
      41.72   41.79
      44.82   44.89
   
       -148.44042047 
       -148.46030893 
       -148.44704996 
   
  
  
      39.54   39.59
      42.51   42.57
   
        -23.41010449 
        -23.40858612 
        -23.40959837 
   
  
  
      40.37   40.42
      43.16   43.21
   
        -20.77544138 
        -20.80960039 
        -20.78682772 
   
  
  
      42.23   42.28
      44.80   44.85
   
        -23.15464991 
        -23.09919369 
        -23.13616450 
   
  
  
      40.89   40.94
      43.55   43.60
   
        -26.04520307 
        -26.13477359 
        -26.07505991 
   
  
  
      42.54   42.62
      45.41   45.50
   
        -30.47855862 
        -30.51076700 
        -30.48929475 
   
  
  
      42.61   42.69
      45.35   45.43
   
        -30.75939932 
        -30.70700226 
        -30.74193363 
   
  
  
      41.70   41.80
      44.42   44.52
   
        -30.98155794 
        -31.00827230 
        -30.99046273 
   
  
  
      40.87   40.94
      43.39   43.46
   
        -32.45941209 
        -32.50282469 
        -32.47388296 
   
  
  
      42.39   42.45
      44.75   44.81
   
        -32.28313763 
        -32.32348167 
        -32.29658564 
   
  
  
      43.20   43.29
      45.72   45.82
   
        -32.38195074 
        -32.44048414 
        -32.40146187 
   
  
  
      42.29   42.42
      44.84   44.97
   
        -32.46359246 
        -32.51583068 
        -32.48100520 
   
  
  
      42.23   42.30
      44.62   44.69
   
        -32.36243023 
        -32.41455190 
        -32.37980412 
   
  
  
      40.50   40.57
      43.20   43.28
   
        -32.23325096 
        -32.27245938 
        -32.24632043 
   
  
  
      41.21   41.30
      44.75   44.85
   
        -31.97743452 
        -32.01236355 
        -31.98907753 
   
  
  
      39.64   39.71
      43.24   43.32
   
        -31.91970271 
        -31.95203316 
        -31.93047952 
   
  
  
      40.87   40.98
      43.55   43.66
   
        -31.92934137 
        -31.95668981 
        -31.93845751 
   
  
  
      39.49   39.58
      42.14   42.23
   
        -32.12900256 
        -32.03230865 
        -32.09677125 
   
  
  
      40.35   40.41
      43.16   43.22
   
        -32.38626849 
        -32.33011369 
        -32.36755022 
   
  
  
      39.75   39.85
      42.25   42.35
   
        -32.31252288 
        -32.25505809 
        -32.29336795