vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  18:00:54 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.74455604       0.42555176       0.58972353 
           0.76661477       0.44449266       0.65506312 
           0.78615981       0.43079419       0.54748498 
           0.14745999       0.51832957       0.36556542 
           0.20191078       0.61316146       0.36989251 
           0.21810675       0.52500767       0.29297169 
           0.10650456       0.55202088       0.65720290 
           0.14716484       0.64054964       0.59885192 
           0.10270160       0.55618962       0.53831825 
           0.41656119       0.43360428       0.29417474 
           0.41503232       0.34315029       0.37187209 
           0.34233556       0.41212552       0.35760016 
           0.52262888       0.27039237       0.57329181 
           0.52855390       0.35064507       0.48029099 
           0.56513260       0.39956377       0.59109036 
           0.24384935       0.69232071       0.50477086 
           0.30064636       0.66845607       0.59223461 
           0.32646344       0.65754925       0.47915819 
           0.43761253       0.61910870       0.55854162 
           0.44654457       0.55677703       0.65891890 
           0.50963288       0.55167265       0.57555001 
           0.32060113       0.44792505       0.64127420 
           0.30525915       0.37966989       0.54785197 
           0.32218497       0.44687162       0.56776039 
           0.20005540       0.54008618       0.36070312 
           0.13496492       0.56872544       0.59670052 
           0.39738896       0.41177486       0.35935678 
           0.51502958       0.34288290       0.55106210 
           0.28443963       0.64728024       0.52538143 
           0.45536078       0.55563687       0.58655638 
           0.41167339       0.45942976       0.53396319 
           0.25820021       0.52710472       0.52641268 
           0.24061549       0.49390320       0.42322723 
           0.19336759       0.51474726       0.59472311 
           0.42199744       0.47236111       0.42523658 
           0.44694467       0.36246466       0.56713129 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        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
   
   
         2
     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  
   
   
        95
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
       95
        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
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.74455604       0.42555176       0.58972353 
          0.76661477       0.44449266       0.65506312 
          0.78615981       0.43079419       0.54748498 
          0.14745999       0.51832957       0.36556542 
          0.20191078       0.61316146       0.36989251 
          0.21810675       0.52500767       0.29297169 
          0.10650456       0.55202088       0.65720290 
          0.14716484       0.64054964       0.59885192 
          0.10270160       0.55618962       0.53831825 
          0.41656119       0.43360428       0.29417474 
          0.41503232       0.34315029       0.37187209 
          0.34233556       0.41212552       0.35760016 
          0.52262888       0.27039237       0.57329181 
          0.52855390       0.35064507       0.48029099 
          0.56513260       0.39956377       0.59109036 
          0.24384935       0.69232071       0.50477086 
          0.30064636       0.66845607       0.59223461 
          0.32646344       0.65754925       0.47915819 
          0.43761253       0.61910870       0.55854162 
          0.44654457       0.55677703       0.65891890 
          0.50963288       0.55167265       0.57555001 
          0.32060113       0.44792505       0.64127420 
          0.30525915       0.37966989       0.54785197 
          0.32218497       0.44687162       0.56776039 
          0.20005540       0.54008618       0.36070312 
          0.13496492       0.56872544       0.59670052 
          0.39738896       0.41177486       0.35935678 
          0.51502958       0.34288290       0.55106210 
          0.28443963       0.64728024       0.52538143 
          0.45536078       0.55563687       0.58655638 
          0.41167339       0.45942976       0.53396319 
          0.25820021       0.52710472       0.52641268 
          0.24061549       0.49390320       0.42322723 
          0.19336759       0.51474726       0.59472311 
          0.42199744       0.47236111       0.42523658 
          0.44694467       0.36246466       0.56713129 
  
 
 
  
       4.81    4.91
       8.69    8.81
   
          6.34847707 
       5592.80060346 
      -8167.53365974 
        263.47404048 
       2564.72054280 
      -2541.99018201 
         -0.05056848 
       -539.19774381 
       3504.07976474 
        682.65127452 
        682.70184300 
        682.66813068 
   
  
  
       6.05    6.07
       6.06    6.07
   
        101.15354969 
        101.12774190 
        101.14494710 
   
  
  
       5.01    5.02
       5.01    5.02
   
       -144.96128735 
       -144.97289818 
       -144.96515763 
   
  
  
       5.07    5.08
       5.07    5.08
   
       -167.97804857 
       -167.94515503 
       -167.96708406 
   
  
  
       4.61    4.66
       5.13    5.19
   
       -168.47658119 
       -168.43941092 
       -168.46419110 
   
  
  
       3.84    3.87
       8.06    8.10
   
        -70.02831991 
        -70.03411782 
        -70.03025255 
   
  
  
       3.55    3.59
       7.45    7.51
   
       -114.68470802 
       -114.70233871 
       -114.69058492 
   
  
  
       2.72    2.86
       6.20    6.36
   
       -133.09262702 
       -133.10803446 
       -133.09776283 
   
  
  
       3.25    3.32
       6.36    6.44
   
       -161.07762947 
       -161.10004511 
       -161.08510135 
   
  
  
       3.48    3.55
       7.17    7.26
   
       -175.34806695 
       -175.37728212 
       -175.35780534 
   
  
  
       3.50    3.56
       7.34    7.43
   
       -180.43438434 
       -180.46115367 
       -180.44330745 
   
  
  
       2.97    3.02
       7.11    7.17
   
       -185.24297006 
       -185.25934489 
       -185.24842834 
   
  
  
       3.09    3.14
       7.06    7.12
   
       -187.86037518 
       -187.88679003 
       -187.86918013 
   
  
  
       3.10    3.19
       6.77    6.87
   
       -189.04435171 
       -189.07743151 
       -189.05537831 
   
  
  
       2.87    2.92
       6.87    6.94
   
       -189.70827606 
       -189.74111940 
       -189.71922384 
   
  
  
       3.27    3.33
       7.43    7.50
   
       -190.21361340 
       -190.24560707 
       -190.22427795 
   
  
  
       3.08    3.16
       7.19    7.32
   
       -190.64124395 
       -190.67344913 
       -190.65197901 
   
  
  
       3.15    3.22
       7.19    7.27
   
       -190.80938213 
       -190.84198314 
       -190.82024914 
   
  
  
       2.92    2.97
       7.04    7.13
   
       -190.94532245 
       -190.97792210 
       -190.95618900 
   
  
  
       2.92    3.11
       6.38    6.60
   
       -190.99684674 
       -191.02923248 
       -191.00764198 
   
  
  
       2.83    2.96
       6.60    6.77
   
       -191.01566798 
       -191.04797004 
       -191.02643533 
   
  
  
       3.38    3.46
       7.18    7.27
   
       -191.02195541 
       -191.05435349 
       -191.03275477 
   
  
  
       3.49    3.52
       7.97    8.03
   
       -191.02276319 
       -191.05515941 
       -191.03356193 
   
  
  
       3.11    3.21
       7.56    7.66
   
       -191.02528040 
       -191.05768979 
       -191.03608353 
   
  
  
       3.56    3.63
       8.16    8.25
   
       -191.02815213 
       -191.06056061 
       -191.03895496 
   
  
  
       3.49    3.57
       7.97    8.07
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.97    3.07
       7.22    7.33
   
      -4548.67082362 
      -4548.70063529 
      -4548.68076085 
   
  
  
       3.10    3.18
       7.37    7.46
   
      -2896.84827631 
      -2896.79123046 
      -2896.82926103 
   
  
  
       3.55    3.65
       8.05    8.18
   
     -34504.00891444 
     -34503.96444276 
     -34503.99409055 
   
  
  
       4.06    4.16
       8.41    8.52
   
    -154947.56604685 
    -154947.60838999 
    -154947.58016123 
   
  
  
       2.81    2.88
       7.81    7.90
   
    -860265.81502046 
    -860265.76885765 
    -860265.79963286 
   
  
  
       2.88    2.93
       8.08    8.14
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.61    2.64
       7.07    7.11
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.83
       5.39    5.42
   
    **************** 
    **************** 
    ****************