vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:21 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.57954628       0.58695745       0.46447399 
           0.62288953       0.60393593       0.30541650 
           0.66496833       0.72383868       0.53215919 
           0.42910023       0.64182529       0.50967100 
           0.70066671       0.52137284       0.55069644 
           0.57229147       0.61466329       0.10597876 
           0.43690372       0.57054550       0.21439395 
           0.56301961       0.45062648       0.17451836 
           0.78518204       0.88517070       0.50620345 
           0.78303143       0.77004541       0.36808983 
           0.87211618       0.73058917       0.51871856 
           0.45299979       0.82248004       0.61483118 
           0.29003777       0.78734823       0.54861239 
           0.42257176       0.84096864       0.44078098 
           0.47357214       0.38015713       0.55072229 
           0.59827595       0.34165760       0.44809738 
           0.54464585       0.55718812       0.19563440 
           0.78301957       0.77935786       0.47736965 
           0.39810029       0.77943749       0.52930073 
           0.52936053       0.41248308       0.47242960 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       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
       36
       -1
       -1
        51.00000000
        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
   
   
         1
     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
     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
           0.00000007
           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
   
  
  
       50
       50
       50
      100
      100
      100
    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
         1.11000000      0.73000000      0.32000000      0.77000000      0.75000000
      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  
        28.08500000     16.00000000      1.00000000     12.01100000     14.00100000
         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
        30.00000000
         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  
  
 
 
        20 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.57954628       0.58695745       0.46447399 
          0.62288953       0.60393593       0.30541650 
          0.66496833       0.72383868       0.53215919 
          0.42910023       0.64182529       0.50967100 
          0.70066671       0.52137284       0.55069644 
          0.57229147       0.61466329       0.10597876 
          0.43690372       0.57054550       0.21439395 
          0.56301961       0.45062648       0.17451836 
          0.78518204       0.88517070       0.50620345 
          0.78303143       0.77004541       0.36808983 
          0.87211618       0.73058917       0.51871856 
          0.45299979       0.82248004       0.61483118 
          0.29003777       0.78734823       0.54861239 
          0.42257176       0.84096864       0.44078098 
          0.47357214       0.38015713       0.55072229 
          0.59827595       0.34165760       0.44809738 
          0.54464585       0.55718812       0.19563440 
          0.78301957       0.77935786       0.47736965 
          0.39810029       0.77943749       0.52930073 
          0.52936053       0.41248308       0.47242960 
  
 
 
  
       3.69    3.75
       3.89    3.95
   
          9.70459894 
       1619.25133652 
      -3351.99194817 
        161.25870921 
       1683.87943027 
      -1674.68789537 
          0.00140824 
       -319.65980725 
       2255.45560034 
        383.21143272 
        383.21002448 
        383.21096331 
   
  
  
       4.82    4.85
       4.82    4.85
   
        -13.91660386 
        -13.89894032 
        -13.91071601 
   
  
  
       4.02    4.05
       4.02    4.05
   
       -111.88789914 
       -111.84111175 
       -111.87230334 
   
  
  
       4.24    4.26
       4.24    4.26
   
       -116.19079752 
       -116.13442232 
       -116.17200579 
   
  
  
       4.17    4.23
       4.22    4.27
   
       -116.25183244 
       -116.19541451 
       -116.23302646 
   
  
  
       4.10    4.15
       4.34    4.38
   
       -107.18897388 
       -107.13255613 
       -107.17016796 
   
  
  
       3.93    3.99
       4.15    4.21
   
       -105.79775561 
       -105.74134163 
       -105.77895095 
   
  
  
       4.26    4.30
       4.49    4.53
   
       -105.34649952 
       -105.29008467 
       -105.32769457 
   
  
  
       3.95    3.99
       4.19    4.24
   
       -105.19467647 
       -105.13826481 
       -105.17587258 
   
  
  
       4.10    4.15
       4.34    4.38
   
       -105.16527851 
       -105.10886829 
       -105.14647510 
   
  
  
       3.84    3.88
       4.14    4.17
   
       -105.16116077 
       -105.10474960 
       -105.14235705 
   
  
  
       3.43    3.46
       3.77    3.81
   
       -105.15922342 
       -105.10281251 
       -105.14041978 
   
  
  
       3.44    3.48
       3.69    3.72
   
       -105.16042497 
       -105.10401335 
       -105.14162110 
   
  
  
       3.40    3.44
       3.63    3.67
   
       -105.16809315 
       -105.11168170 
       -105.14928933 
   
  
  
       3.57    3.60
       3.81    3.83
   
       -105.17264521 
       -105.11623383 
       -105.15384142 
   
  
  
       3.64    3.68
       3.90    3.95
   
       -105.17576600 
       -105.11935476 
       -105.15696225 
   
  
  
       3.57    3.61
       3.83    3.87
   
       -105.17892181 
       -105.12251079 
       -105.16011813 
   
  
  
       2.60    2.77
       2.81    2.98
   
       -105.17970897 
       -105.12329811 
       -105.16090535