vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  12:49:04 
 
 
  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      0.77000000      0.32000000      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 
    
   
   
           0.76452573       0.63335820       0.50689270 
           0.65353043       0.74830264       0.46340207 
           0.72945524       0.58537331       0.66118174 
           0.74728179       0.50109361       0.40858646 
           0.34330466       0.56151834       0.43853807 
           0.63621783       0.80042910       0.33138815 
           0.71243451       0.67500798       0.77020672 
           0.84996065       0.40127116       0.41044611 
           0.27759183       0.64405366       0.53162277 
           0.61892722       0.90825945       0.33830340 
           0.54972391       0.75189638       0.28500895 
           0.72431548       0.78301630       0.26848714 
           0.63617426       0.63384483       0.83795158 
           0.67902844       0.77385870       0.73566729 
           0.80663834       0.68704729       0.82624902 
           0.94855004       0.44841996       0.39969452 
           0.83380128       0.33208606       0.32672801 
           0.84772207       0.34535735       0.50498964 
           0.34795504       0.69161197       0.60313612 
           0.20184910       0.58685880       0.58770031 
           0.22883757       0.72453892       0.47319526 
           0.48582607       0.45046080       0.52692753 
           0.37194286       0.36687026       0.43929554 
           0.38524754       0.44066896       0.51036488 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
  
 
 
  
          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
       45
       -1
       -1
        63.00000000
        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      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
           0.00000006
           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      0.77000000      0.32000000      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     12.01100000      1.00000000     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
        25.00000000
         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  
  
 
 
        24 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       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 
   
  
  
          0.76452573       0.63335820       0.50689270 
          0.65353043       0.74830264       0.46340207 
          0.72945524       0.58537331       0.66118174 
          0.74728179       0.50109361       0.40858646 
          0.34330466       0.56151834       0.43853807 
          0.63621783       0.80042910       0.33138815 
          0.71243451       0.67500798       0.77020672 
          0.84996065       0.40127116       0.41044611 
          0.27759183       0.64405366       0.53162277 
          0.61892722       0.90825945       0.33830340 
          0.54972391       0.75189638       0.28500895 
          0.72431548       0.78301630       0.26848714 
          0.63617426       0.63384483       0.83795158 
          0.67902844       0.77385870       0.73566729 
          0.80663834       0.68704729       0.82624902 
          0.94855004       0.44841996       0.39969452 
          0.83380128       0.33208606       0.32672801 
          0.84772207       0.34535735       0.50498964 
          0.34795504       0.69161197       0.60313612 
          0.20184910       0.58685880       0.58770031 
          0.22883757       0.72453892       0.47319526 
          0.48582607       0.45046080       0.52692753 
          0.37194286       0.36687026       0.43929554 
          0.38524754       0.44066896       0.51036488 
  
 
 
  
       4.61    4.64
       4.81    4.84
   
         15.04782365 
       1558.72387381 
      -3793.80512012 
        205.93943497 
       2143.21900841 
      -2136.41330556 
          0.01426786 
       -375.28847543 
       2859.80328558 
        477.24079319 
        477.22652533 
        477.23603724 
   
  
  
       5.68    5.71
       5.68    5.71
   
        -16.38277019 
        -16.37510433 
        -16.38021490 
   
  
  
       4.87    4.90
       4.87    4.90
   
       -134.55661329 
       -134.50278996 
       -134.53867218 
   
  
  
       5.43    5.46
       5.44    5.46
   
       -139.48394628 
       -139.42754303 
       -139.46514520 
   
  
  
       5.43    5.47
       5.47    5.51
   
       -139.57244401 
       -139.51604217 
       -139.55364340 
   
  
  
       4.93    4.97
       5.18    5.22
   
       -128.92090708 
       -128.86454874 
       -128.90212097 
   
  
  
       5.27    5.31
       5.51    5.55
   
       -127.19534378 
       -127.13900985 
       -127.17656581 
   
  
  
       5.01    5.05
       5.25    5.29
   
       -126.76855698 
       -126.71223619 
       -126.74978338 
   
  
  
       2.37    2.45
       2.59    2.67
   
       -126.71205429 
       -126.65575038 
       -126.69328632