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 
    
   
   
           0.36445677       0.32623781       0.36845322 
           0.44108278       0.50165124       0.51072663 
           0.39578467       0.38864569       0.46386790 
           0.34874288       0.59902330       0.48452675 
           0.44867375       0.48270447       0.61872459 
           0.56876163       0.53749517       0.48596621 
           0.42641870       0.42866188       0.30349179 
           0.43743883       0.21646892       0.33190791 
           0.23573144       0.34342374       0.32376705 
           0.35596614       0.71045652       0.51582055 
           0.36520743       0.42864233       0.67027018 
           0.60557815       0.59455567       0.40811399 
           0.42202706       0.43080601       0.20939279 
           0.54694384       0.21663990       0.29965072 
           0.17567342       0.44471038       0.32393600 
           0.27043941       0.74004393       0.53388480 
           0.39805304       0.71784696       0.57883810 
           0.39359593       0.76296689       0.47177493 
           0.35348800       0.34731046       0.65367208 
           0.38851016       0.43039901       0.73419062 
           0.28908215       0.46491168       0.66679906 
           0.68798894       0.56168155       0.38986520 
           0.54843253       0.58237487       0.35158088 
           0.61418508       0.68425143       0.42225417 
           0.50644066       0.44416465       0.18234231 
           0.38812489       0.35349761       0.18037126 
           0.36951076       0.50089449       0.18639705 
           0.54459555       0.20905552       0.23231084 
           0.59526327       0.28682482       0.31511775 
           0.58901236       0.14958154       0.32463781 
           0.20593354       0.50197495       0.37452227 
           0.18265723       0.48440289       0.25852274 
           0.08746637       0.42665404       0.33445664 
           0.24455246       0.09803876       0.43927882 
           0.24850564       0.17674652       0.52323701 
           0.27946825       0.26759948       0.46619672 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          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 
   
  
  
          0.36445677       0.32623781       0.36845322 
          0.44108278       0.50165124       0.51072663 
          0.39578467       0.38864569       0.46386790 
          0.34874288       0.59902330       0.48452675 
          0.44867375       0.48270447       0.61872459 
          0.56876163       0.53749517       0.48596621 
          0.42641870       0.42866188       0.30349179 
          0.43743883       0.21646892       0.33190791 
          0.23573144       0.34342374       0.32376705 
          0.35596614       0.71045652       0.51582055 
          0.36520743       0.42864233       0.67027018 
          0.60557815       0.59455567       0.40811399 
          0.42202706       0.43080601       0.20939279 
          0.54694384       0.21663990       0.29965072 
          0.17567342       0.44471038       0.32393600 
          0.27043941       0.74004393       0.53388480 
          0.39805304       0.71784696       0.57883810 
          0.39359593       0.76296689       0.47177493 
          0.35348800       0.34731046       0.65367208 
          0.38851016       0.43039901       0.73419062 
          0.28908215       0.46491168       0.66679906 
          0.68798894       0.56168155       0.38986520 
          0.54843253       0.58237487       0.35158088 
          0.61418508       0.68425143       0.42225417 
          0.50644066       0.44416465       0.18234231 
          0.38812489       0.35349761       0.18037126 
          0.36951076       0.50089449       0.18639705 
          0.54459555       0.20905552       0.23231084 
          0.59526327       0.28682482       0.31511775 
          0.58901236       0.14958154       0.32463781 
          0.20593354       0.50197495       0.37452227 
          0.18265723       0.48440289       0.25852274 
          0.08746637       0.42665404       0.33445664 
          0.24455246       0.09803876       0.43927882 
          0.24850564       0.17674652       0.52323701 
          0.27946825       0.26759948       0.46619672