vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:35:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       2160.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.37109115       0.34979916       0.34264343 
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           0.40419391       0.40323496       0.43990944 
           0.35925026       0.61050809       0.47347377 
           0.44957786       0.47879119       0.60255332 
           0.57732999       0.54392597       0.47723256 
           0.42562763       0.44901393       0.27565347 
           0.43374907       0.23321827       0.31453748 
           0.23966208       0.34792738       0.31572852 
           0.36863495       0.71842844       0.50569177 
           0.35912209       0.43059746       0.65036910 
           0.61950759       0.59339024       0.39785828 
           0.41534472       0.44786696       0.18131749 
           0.54645430       0.22049271       0.30155368 
           0.16853716       0.44065802       0.32312173 
           0.28111205       0.72971346       0.58384888 
           0.42905982       0.73420003       0.55270250 
           0.35828223       0.77534000       0.47054011 
           0.36743199       0.36250371       0.66913606 
           0.34636822       0.46611201       0.69643724 
           0.29493654       0.42415415       0.62567919 
           0.70115343       0.55634453       0.38363484 
           0.56426060       0.57926320       0.34040448 
           0.63075931       0.68342278       0.40805131 
           0.49840493       0.45501657       0.15111659 
           0.37564562       0.37152270       0.15635852 
           0.36533800       0.51980659       0.15912586 
           0.55058895       0.17260872       0.25899504 
           0.59555595       0.28114191       0.28611493 
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           0.17727278       0.49570321       0.26715567 
           0.08337673       0.41264115       0.32274645 
           0.21028828       0.91954997       0.56478698 
           0.27256594       0.96174883       0.63229792 
           0.26606363       0.48565759       0.58008945 
   
  
  
           1 
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           4 
           5 
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          11 
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          25 
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          28 
          29 
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          31 
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          33 
          34 
          35 
          36 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       68
       -1
       -1
        99.00000000
        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      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
           0.00000004
           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
   
  
  
       60
       60
       80
      120
      120
      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
         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
  
  
        4
        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
        36.00000000
         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
   
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    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
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      2160.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.37109115       0.34979916       0.34264343 
          0.44867404       0.50823692       0.49697986 
          0.40419391       0.40323496       0.43990944 
          0.35925026       0.61050809       0.47347377 
          0.44957786       0.47879119       0.60255332 
          0.57732999       0.54392597       0.47723256 
          0.42562763       0.44901393       0.27565347 
          0.43374907       0.23321827       0.31453748 
          0.23966208       0.34792738       0.31572852 
          0.36863495       0.71842844       0.50569177 
          0.35912209       0.43059746       0.65036910 
          0.61950759       0.59339024       0.39785828 
          0.41534472       0.44786696       0.18131749 
          0.54645430       0.22049271       0.30155368 
          0.16853716       0.44065802       0.32312173 
          0.28111205       0.72971346       0.58384888 
          0.42905982       0.73420003       0.55270250 
          0.35828223       0.77534000       0.47054011 
          0.36743199       0.36250371       0.66913606 
          0.34636822       0.46611201       0.69643724 
          0.29493654       0.42415415       0.62567919 
          0.70115343       0.55634453       0.38363484 
          0.56426060       0.57926320       0.34040448 
          0.63075931       0.68342278       0.40805131 
          0.49840493       0.45501657       0.15111659 
          0.37564562       0.37152270       0.15635852 
          0.36533800       0.51980659       0.15912586 
          0.55058895       0.17260872       0.25899504 
          0.59555595       0.28114191       0.28611493 
          0.58312543       0.19343130       0.34821637 
          0.18544649       0.48537297       0.38280506 
          0.17727278       0.49570321       0.26715567 
          0.08337673       0.41264115       0.32274645 
          0.21028828       0.91954997       0.56478698 
          0.27256594       0.96174883       0.63229792 
          0.26606363       0.48565759       0.58008945