vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:29:28 
 
 
  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 
  
 
 
  
      26.57   26.64
      26.97   27.04
   
         17.07006205 
       5984.33545935 
      -9554.56199444 
        321.45334749 
       3500.83949608 
      -3483.02860171 
         -0.03307156 
       -618.61905185 
       4628.78486365 
        796.24050905 
        796.27358061 
        796.25153290 
   
  
  
      29.65   29.67
      29.65   29.67
   
         43.63184234 
         43.65147215 
         43.63838561 
   
  
  
      17.01   17.15
      17.01   17.15
   
       -197.89771587 
       -197.90254784 
       -197.89932652 
   
  
  
      15.63   15.65
      15.63   15.66
   
       -213.04012690 
       -212.98414221 
       -213.02146533 
   
  
  
      26.44   26.45
      26.53   26.54
   
       -213.43074475 
       -213.37432613 
       -213.41193854 
   
  
  
      24.64   24.65
      24.99   25.01
   
       -195.02183467 
       -194.96541738 
       -195.00302891 
   
  
  
      26.83   26.85
      27.16   27.18
   
       -192.95137394 
       -192.90955402 
       -192.93743396