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 
    
   
   
           0.36611537       0.33212815       0.36200077 
           0.44298059       0.50329766       0.50728994 
           0.39788698       0.39229301       0.45787828 
           0.35136972       0.60189450       0.48176351 
           0.44889978       0.48172615       0.61468178 
           0.57090372       0.53910287       0.48378280 
           0.42622093       0.43374989       0.29653221 
           0.43651639       0.22065626       0.32756531 
           0.23671410       0.34454965       0.32175742 
           0.35913334       0.71244950       0.51328836 
           0.36368609       0.42913111       0.66529491 
           0.60906051       0.59426431       0.40555006 
           0.42035648       0.43507125       0.20237396 
           0.54682145       0.21760311       0.30012646 
           0.17388936       0.44369729       0.32373243 
           0.27310757       0.73746131       0.54637582 
           0.40580474       0.72193523       0.57230420 
           0.38476751       0.76606017       0.47146622 
           0.35697400       0.35110877       0.65753808 
           0.37797467       0.43932726       0.72475227 
           0.29054575       0.45472230       0.65651909 
           0.69128006       0.56034729       0.38830761 
           0.55238955       0.58159695       0.34878678 
           0.61832864       0.68404426       0.41870346 
           0.50443172       0.44687763       0.17453588 
           0.38500507       0.35800389       0.17436807 
           0.36846757       0.50562252       0.17957925 
           0.54609390       0.19994382       0.23898189 
           0.59533644       0.28540409       0.30786705 
           0.58754063       0.16054398       0.33053245 
           0.20081178       0.49782446       0.37659297 
           0.18131112       0.48722797       0.26068097 
           0.08644396       0.42315082       0.33152910 
           0.23598642       0.05341656       0.47065586 
           0.25452072       0.12299710       0.55050224 
           0.27611709       0.32211401       0.49466990 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          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 
         0.00000000       0.00000000       1.00000000 
         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 
   
  
  
          0.36611537       0.33212815       0.36200077 
          0.44298059       0.50329766       0.50728994 
          0.39788698       0.39229301       0.45787828 
          0.35136972       0.60189450       0.48176351 
          0.44889978       0.48172615       0.61468178 
          0.57090372       0.53910287       0.48378280 
          0.42622093       0.43374989       0.29653221 
          0.43651639       0.22065626       0.32756531 
          0.23671410       0.34454965       0.32175742 
          0.35913334       0.71244950       0.51328836 
          0.36368609       0.42913111       0.66529491 
          0.60906051       0.59426431       0.40555006 
          0.42035648       0.43507125       0.20237396 
          0.54682145       0.21760311       0.30012646 
          0.17388936       0.44369729       0.32373243 
          0.27310757       0.73746131       0.54637582 
          0.40580474       0.72193523       0.57230420 
          0.38476751       0.76606017       0.47146622 
          0.35697400       0.35110877       0.65753808 
          0.37797467       0.43932726       0.72475227 
          0.29054575       0.45472230       0.65651909 
          0.69128006       0.56034729       0.38830761 
          0.55238955       0.58159695       0.34878678 
          0.61832864       0.68404426       0.41870346 
          0.50443172       0.44687763       0.17453588 
          0.38500507       0.35800389       0.17436807 
          0.36846757       0.50562252       0.17957925 
          0.54609390       0.19994382       0.23898189 
          0.59533644       0.28540409       0.30786705 
          0.58754063       0.16054398       0.33053245 
          0.20081178       0.49782446       0.37659297 
          0.18131112       0.48722797       0.26068097 
          0.08644396       0.42315082       0.33152910 
          0.23598642       0.05341656       0.47065586 
          0.25452072       0.12299710       0.55050224 
          0.27611709       0.32211401       0.49466990