vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       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 
    
   
   
           0.76580294       0.41524347       0.59096765 
           0.78551910       0.43676771       0.65103964 
           0.80615160       0.42190167       0.54767626 
           0.14599285       0.51888160       0.36518010 
           0.19982804       0.61427401       0.37061668 
           0.21686564       0.52698976       0.29306293 
           0.10496124       0.55327219       0.65712685 
           0.14594527       0.64174964       0.59912931 
           0.10121448       0.55791582       0.53821435 
           0.41520541       0.43515310       0.29431447 
           0.41315784       0.34462066       0.37185601 
           0.34075007       0.41374902       0.35715387 
           0.52360961       0.27457329       0.57326462 
           0.52777787       0.34932890       0.48061801 
           0.54867258       0.38825676       0.58989001 
           0.24234512       0.69325949       0.50478777 
           0.29893645       0.66930379       0.59249284 
           0.32504213       0.65850418       0.47955459 
           0.43638381       0.62073077       0.55904340 
           0.44511421       0.55794229       0.65890390 
           0.50792134       0.55308891       0.57541920 
           0.31901399       0.44861958       0.64145941 
           0.30380663       0.38047817       0.54800907 
           0.32082807       0.44764600       0.56795172 
           0.19838166       0.54139469       0.36066949 
           0.13347615       0.57007769       0.59668020 
           0.39582897       0.41336186       0.35939559 
           0.51494569       0.34432621       0.55204275 
           0.28292619       0.64819655       0.52556005 
           0.45367002       0.55695352       0.58651981 
           0.41050743       0.45976367       0.53448165 
           0.25694324       0.52781799       0.52654523 
           0.23900852       0.49490708       0.42321511 
           0.19171877       0.51556324       0.59452765 
           0.41994719       0.47382078       0.42544539 
           0.44605594       0.36389286       0.56709408 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   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  
   
   
        95
        -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
       95
        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 
   
  
  
          0.76580294       0.41524347       0.59096765 
          0.78551910       0.43676771       0.65103964 
          0.80615160       0.42190167       0.54767626 
          0.14599285       0.51888160       0.36518010 
          0.19982804       0.61427401       0.37061668 
          0.21686564       0.52698976       0.29306293 
          0.10496124       0.55327219       0.65712685 
          0.14594527       0.64174964       0.59912931 
          0.10121448       0.55791582       0.53821435 
          0.41520541       0.43515310       0.29431447 
          0.41315784       0.34462066       0.37185601 
          0.34075007       0.41374902       0.35715387 
          0.52360961       0.27457329       0.57326462 
          0.52777787       0.34932890       0.48061801 
          0.54867258       0.38825676       0.58989001 
          0.24234512       0.69325949       0.50478777 
          0.29893645       0.66930379       0.59249284 
          0.32504213       0.65850418       0.47955459 
          0.43638381       0.62073077       0.55904340 
          0.44511421       0.55794229       0.65890390 
          0.50792134       0.55308891       0.57541920 
          0.31901399       0.44861958       0.64145941 
          0.30380663       0.38047817       0.54800907 
          0.32082807       0.44764600       0.56795172 
          0.19838166       0.54139469       0.36066949 
          0.13347615       0.57007769       0.59668020 
          0.39582897       0.41336186       0.35939559 
          0.51494569       0.34432621       0.55204275 
          0.28292619       0.64819655       0.52556005 
          0.45367002       0.55695352       0.58651981 
          0.41050743       0.45976367       0.53448165 
          0.25694324       0.52781799       0.52654523 
          0.23900852       0.49490708       0.42321511 
          0.19171877       0.51556324       0.59452765 
          0.41994719       0.47382078       0.42544539 
          0.44605594       0.36389286       0.56709408 
  
 
 
  
       4.39    4.51
       8.11    8.24
   
          6.34847707 
       5589.62110315 
      -8154.99462866 
        264.02838960 
       2564.72054280 
      -2541.99018201 
         -0.02135226 
       -608.80989172 
       3504.07976474 
        622.98222270 
        623.00357496 
        622.98934012 
   
  
  
       6.01    6.01
       6.01    6.02
   
         77.09003658 
         77.06129383 
         77.08045566 
   
  
  
       4.95    4.96
       4.95    4.96
   
       -148.29720003 
       -148.32502696 
       -148.30647567 
   
  
  
       4.98    4.98
       4.98    4.98
   
       -169.28977757 
       -169.30500906 
       -169.29485474 
   
  
  
       4.98    5.01
       5.79    5.82
   
       -169.73774795 
       -169.75311990 
       -169.74287194 
   
  
  
       3.41    3.46
       7.41    7.46
   
        -70.96804926 
        -70.98482653 
        -70.97364168 
   
  
  
       3.42    3.52
       7.46    7.56
   
       -121.16676257 
       -121.18357644 
       -121.17236720 
   
  
  
       2.83    2.92
       6.73    6.83
   
       -136.22289076 
       -136.24192632 
       -136.22923594 
   
  
  
       3.19    3.28
       7.05    7.14
   
       -165.18053721 
       -165.20859711 
       -165.18989051 
   
  
  
       3.60    3.67
       8.24    8.32
   
       -176.73183226 
       -176.76503995 
       -176.74290149 
   
  
  
       2.62    2.72
       6.75    6.86
   
       -183.51276583 
       -183.54347828 
       -183.52300331 
   
  
  
       2.58    2.62
       6.23    6.27
   
       -188.22206155 
       -188.24711102 
       -188.23041137 
   
  
  
       3.67    3.74
       7.25    7.33
   
       -189.33693176 
       -189.37151926 
       -189.34846093 
   
  
  
       3.00    3.08
       7.28    7.37
   
       -190.40304414 
       -190.43502010 
       -190.41370279 
   
  
  
       2.68    2.75
       6.33    6.40
   
       -190.67730623 
       -190.71269391 
       -190.68910213 
   
  
  
       2.74    2.78
       6.69    6.75
   
       -191.19687482 
       -191.23210970 
       -191.20861978 
   
  
  
       3.12    3.21
       7.38    7.48
   
       -191.60001750 
       -191.63515141 
       -191.61172880 
   
  
  
       2.91    2.96
       7.44    7.51
   
       -191.85716039 
       -191.89255195 
       -191.86895758 
   
  
  
       2.93    3.03
       7.18    7.29
   
       -192.02678145 
       -192.06221880 
       -192.03859390 
   
  
  
       2.90    2.98
       7.14    7.23
   
       -192.10991077 
       -192.14532344 
       -192.12171499 
   
  
  
       2.46    2.50
       6.45    6.50
   
       -192.13095476 
       -192.16634066 
       -192.14275006 
   
  
  
       2.87    2.94
       7.07    7.16
   
       -192.13463386 
       -192.17001747 
       -192.14642840 
   
  
  
       3.12    3.16
       7.27    7.33
   
       -192.13641141 
       -192.17181063 
       -192.14821115 
   
  
  
       3.45    3.53
       8.50    8.61
   
       -192.13682314 
       -192.17222803 
       -192.14862477 
   
  
  
       2.71    2.77
       7.93    8.00
   
       -192.13712128 
       -192.17252437 
       -192.14892231 
   
  
  
       2.21    2.29
       6.79    6.88
   
       -192.13752780 
       -192.17292775 
       -192.14932778 
   
  
  
       2.13    2.20
       6.48    6.55
   
       -192.13785262 
       -192.17325257 
       -192.14965260 
   
  
  
       2.54    2.57
       6.84    6.89
   
       -192.13802467 
       -192.17342614 
       -192.14982516 
   
  
  
       2.46    2.53
       6.99    7.07
   
       -192.13805154 
       -192.17345353 
       -192.14985220 
   
  
  
       2.45    2.51
       6.54    6.60
   
       -192.13806720 
       -192.17346969 
       -192.14986803 
   
  
  
       1.46    1.51
       5.61    5.66
   
       -192.13807750 
       -192.17348067 
       -192.14987856 
   
  
  
       1.58    1.60
       5.09    5.11
   
          6.34847707 
       5589.62110315 
      -8557.11688203 
        274.95222598 
       7365.90162890 
      -7345.67310001 
          0.03540337 
      -1030.28670612 
       3504.07976474 
       -192.13808497 
       -192.17348834 
       -192.14988609