vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.75000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.36191752       0.43812044       0.55346605 
           0.53234543       0.41623635       0.54263026 
           0.44767877       0.41102026       0.68900047 
           0.44483757       0.45942126       0.41446783 
           0.60225832       0.17484900       0.61590000 
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           0.23186851       0.58806264       0.67033294 
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           0.65679609       0.56697725       0.41759074 
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           0.27138440       0.21476818       0.65333868 
           0.26557243       0.23644224       0.41492467 
           0.29810035       0.29417734       0.53849936 
           0.61590858       0.53618769       0.54626963 
           0.56409408       0.25835428       0.51470584 
           0.30106636       0.57549870       0.57251613 
           0.44798390       0.49661588       0.75791503 
           0.44946288       0.31506451       0.74291447 
           0.45081584       0.56278830       0.37961535 
           0.43791831       0.38939499       0.33120531 
           0.58521650       0.07077080       0.59049740 
           0.57067159       0.19671118       0.71309201 
           0.73367528       0.12054579       0.69036957 
           0.71921604       0.29500917       0.65996360 
           0.73196588       0.18279495       0.52302689 
           0.21289781       0.48786994       0.70857059 
           0.25841013       0.64685901       0.75531630 
           0.09790483       0.67141680       0.68143658 
           0.12398978       0.59530737       0.52517107 
           0.16882863       0.75561095       0.56739508 
           0.66464515       0.67595355       0.40363110 
           0.61441824       0.52968009       0.33582724 
           0.72332134       0.52047891       0.40627487 
           0.63008822       0.57079930       0.75385901 
           0.67472904       0.69821503       0.64909208 
           0.73332195       0.54458351       0.66808015 
           0.29483120       0.26089405       0.74619291 
           0.29938904       0.11229024       0.64740093 
           0.19777472       0.20649042       0.65931373 
           0.29407306       0.13542673       0.39954205 
           0.28329043       0.29778852       0.32811628 
           0.19217335       0.22610861       0.41642802 
           0.47866062       0.66278945       0.65868737 
   
  
  
           1 
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           5 
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          38 
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          40 
          41 
          42 
          43 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       92
       -1
       -1
        97.00000000
        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      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  
   
   
       200
        -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
   
  
  
       80
       50
       50
      160
      100
      100
    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      0.77000000      0.75000000      0.73000000      0.32000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000     14.00100000     16.00000000      1.00000000
         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
        20.93023256
         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
      200
        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  
  
 
 
        43 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    O    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      27H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.36191752       0.43812044       0.55346605 
          0.53234543       0.41623635       0.54263026 
          0.44767877       0.41102026       0.68900047 
          0.44483757       0.45942126       0.41446783 
          0.60225832       0.17484900       0.61590000 
          0.70252512       0.19423738       0.62315539 
          0.23186851       0.58806264       0.67033294 
          0.15103206       0.65643468       0.60732202 
          0.65679609       0.56697725       0.41759074 
          0.66570481       0.58875547       0.65960368 
          0.27138440       0.21476818       0.65333868 
          0.26557243       0.23644224       0.41492467 
          0.29810035       0.29417734       0.53849936 
          0.61590858       0.53618769       0.54626963 
          0.56409408       0.25835428       0.51470584 
          0.30106636       0.57549870       0.57251613 
          0.44798390       0.49661588       0.75791503 
          0.44946288       0.31506451       0.74291447 
          0.45081584       0.56278830       0.37961535 
          0.43791831       0.38939499       0.33120531 
          0.58521650       0.07077080       0.59049740 
          0.57067159       0.19671118       0.71309201 
          0.73367528       0.12054579       0.69036957 
          0.71921604       0.29500917       0.65996360 
          0.73196588       0.18279495       0.52302689 
          0.21289781       0.48786994       0.70857059 
          0.25841013       0.64685901       0.75531630 
          0.09790483       0.67141680       0.68143658 
          0.12398978       0.59530737       0.52517107 
          0.16882863       0.75561095       0.56739508 
          0.66464515       0.67595355       0.40363110 
          0.61441824       0.52968009       0.33582724 
          0.72332134       0.52047891       0.40627487 
          0.63008822       0.57079930       0.75385901 
          0.67472904       0.69821503       0.64909208 
          0.73332195       0.54458351       0.66808015 
          0.29483120       0.26089405       0.74619291 
          0.29938904       0.11229024       0.64740093 
          0.19777472       0.20649042       0.65931373 
          0.29407306       0.13542673       0.39954205 
          0.28329043       0.29778852       0.32811628 
          0.19217335       0.22610861       0.41642802 
          0.47866062       0.66278945       0.65868737 
  
 
 
  
      41.07   41.23
      41.73   41.89
   
         24.40464528 
       3622.14807235 
      -6129.62703431 
        283.53643665 
       2410.85780175 
      -2387.44800667 
         -0.00019177 
       -587.92806712 
       3407.80321003 
        643.74686619 
        643.74705795 
        643.74693011 
   
  
  
      49.99   49.98
      49.99   49.99
   
        -56.98344427 
        -56.98696598 
        -56.98461818 
   
  
  
      47.90   47.90
      47.90   47.90
   
       -197.79531417 
       -197.80825376 
       -197.79962737