vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:35:09 
 
 
  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 
    
   
   
           0.36777396       0.33801849       0.35554833 
           0.44487841       0.50494408       0.50385325 
           0.39998929       0.39594033       0.45188867 
           0.35399657       0.60476570       0.47900026 
           0.44912581       0.48074783       0.61063896 
           0.57304581       0.54071057       0.48159938 
           0.42602316       0.43883791       0.28957263 
           0.43559395       0.22484359       0.32322270 
           0.23769676       0.34567556       0.31974778 
           0.36230054       0.71444248       0.51075616 
           0.36216476       0.42961990       0.66031964 
           0.61254287       0.59397295       0.40298614 
           0.41868589       0.43933649       0.19535514 
           0.54669907       0.21856631       0.30060220 
           0.17210529       0.44268420       0.32352886 
           0.27577573       0.73487869       0.55886684 
           0.41355643       0.72602350       0.56577030 
           0.37593908       0.76915344       0.47115752 
           0.36046000       0.35490708       0.66140407 
           0.36743919       0.44825551       0.71531393 
           0.29200935       0.44453291       0.64623912 
           0.69457118       0.55901304       0.38675002 
           0.55634656       0.58081903       0.34599268 
           0.62247220       0.68383710       0.41515274 
           0.50242279       0.44959061       0.16672945 
           0.38188525       0.36251016       0.16836489 
           0.36742438       0.51035054       0.17276145 
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           0.59540961       0.28398336       0.30061634 
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           0.17996500       0.49005305       0.26283921 
           0.08542155       0.41964760       0.32860155 
           0.22742037       0.00879437       0.50203290 
           0.26053579       0.06924767       0.57776746 
           0.27276594       0.37662854       0.52314309 
   
  
  
           1 
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           5 
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          33 
          34 
          35 
          36 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       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 
   
  
  
          0.36777396       0.33801849       0.35554833 
          0.44487841       0.50494408       0.50385325 
          0.39998929       0.39594033       0.45188867 
          0.35399657       0.60476570       0.47900026 
          0.44912581       0.48074783       0.61063896 
          0.57304581       0.54071057       0.48159938 
          0.42602316       0.43883791       0.28957263 
          0.43559395       0.22484359       0.32322270 
          0.23769676       0.34567556       0.31974778 
          0.36230054       0.71444248       0.51075616 
          0.36216476       0.42961990       0.66031964 
          0.61254287       0.59397295       0.40298614 
          0.41868589       0.43933649       0.19535514 
          0.54669907       0.21856631       0.30060220 
          0.17210529       0.44268420       0.32352886 
          0.27577573       0.73487869       0.55886684 
          0.41355643       0.72602350       0.56577030 
          0.37593908       0.76915344       0.47115752 
          0.36046000       0.35490708       0.66140407 
          0.36743919       0.44825551       0.71531393 
          0.29200935       0.44453291       0.64623912 
          0.69457118       0.55901304       0.38675002 
          0.55634656       0.58081903       0.34599268 
          0.62247220       0.68383710       0.41515274 
          0.50242279       0.44959061       0.16672945 
          0.38188525       0.36251016       0.16836489 
          0.36742438       0.51035054       0.17276145 
          0.54759225       0.19083212       0.24565294 
          0.59540961       0.28398336       0.30061634 
          0.58606890       0.17150642       0.33642709 
          0.19569001       0.49367396       0.37866366 
          0.17996500       0.49005305       0.26283921 
          0.08542155       0.41964760       0.32860155 
          0.22742037       0.00879437       0.50203290 
          0.26053579       0.06924767       0.57776746 
          0.27276594       0.37662854       0.52314309