vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 07 
  23:11:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       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 
    
   
   
           0.30601145       0.50610604       0.55546552 
           0.47780662       0.50218918       0.58468678 
           0.37990686       0.47906544       0.70313254 
           0.40191927       0.51695843       0.43369507 
           0.53992057       0.73251291       0.69430550 
           0.19394584       0.69348445       0.64875839 
           0.57657643       0.23347839       0.34700837 
           0.56517171       0.13410515       0.55572519 
           0.19420132       0.29518955       0.63419125 
           0.19259557       0.35708845       0.40040735 
           0.23329821       0.37695330       0.53009885 
           0.57677368       0.24859880       0.48256040 
           0.52723119       0.63984325       0.59434653 
           0.26046784       0.65636061       0.55478209 
           0.61457312       0.45101590       0.67373982 
           0.37496789       0.55541283       0.78161797 
           0.37674953       0.38124514       0.75062681 
           0.40877651       0.61124039       0.37922427 
           0.40574141       0.43493881       0.36381619 
           0.48847455       0.80637432       0.68234810 
           0.60496571       0.77624039       0.68370633 
           0.52909248       0.68822803       0.79042579 
           0.21850763       0.68552748       0.75212072 
           0.17647407       0.79791257       0.62947757 
           0.13342616       0.63193743       0.63955892 
           0.62610934       0.30061963       0.30900230 
           0.51603044       0.27622086       0.30799739 
           0.58213425       0.14233081       0.29454944 
           0.50089253       0.14518127       0.60173040 
           0.60878540       0.13488675       0.64059591 
           0.56899323       0.03555055       0.51868443 
           0.22794275       0.31318427       0.72948840 
           0.20067049       0.18793445       0.61027355 
           0.12238530       0.31553962       0.64855600 
           0.19801583       0.25172872       0.36921642 
           0.22614069       0.41887382       0.32503341 
           0.12109768       0.38305239       0.40067929 
           0.60546454       0.39373467       0.58096867 
           0.69542131       0.27721308       0.56002607 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          13 
          14 
          15 
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          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          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 
          0.00000000       0.33333333       0.00000000 
          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
       86
       -1
       -1
        92.00000000
        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
     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
           0.00000003
           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
        23.07692308
         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  
  
 
 
        39 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24H       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 
   
  
  
          0.30601145       0.50610604       0.55546552 
          0.47780662       0.50218918       0.58468678 
          0.37990686       0.47906544       0.70313254 
          0.40191927       0.51695843       0.43369507 
          0.53992057       0.73251291       0.69430550 
          0.19394584       0.69348445       0.64875839 
          0.57657643       0.23347839       0.34700837 
          0.56517171       0.13410515       0.55572519 
          0.19420132       0.29518955       0.63419125 
          0.19259557       0.35708845       0.40040735 
          0.23329821       0.37695330       0.53009885 
          0.57677368       0.24859880       0.48256040 
          0.52723119       0.63984325       0.59434653 
          0.26046784       0.65636061       0.55478209 
          0.61457312       0.45101590       0.67373982 
          0.37496789       0.55541283       0.78161797 
          0.37674953       0.38124514       0.75062681 
          0.40877651       0.61124039       0.37922427 
          0.40574141       0.43493881       0.36381619 
          0.48847455       0.80637432       0.68234810 
          0.60496571       0.77624039       0.68370633 
          0.52909248       0.68822803       0.79042579 
          0.21850763       0.68552748       0.75212072 
          0.17647407       0.79791257       0.62947757 
          0.13342616       0.63193743       0.63955892 
          0.62610934       0.30061963       0.30900230 
          0.51603044       0.27622086       0.30799739 
          0.58213425       0.14233081       0.29454944 
          0.50089253       0.14518127       0.60173040 
          0.60878540       0.13488675       0.64059591 
          0.56899323       0.03555055       0.51868443 
          0.22794275       0.31318427       0.72948840 
          0.20067049       0.18793445       0.61027355 
          0.12238530       0.31553962       0.64855600 
          0.19801583       0.25172872       0.36921642 
          0.22614069       0.41887382       0.32503341 
          0.12109768       0.38305239       0.40067929 
          0.60546454       0.39373467       0.58096867 
          0.69542131       0.27721308       0.56002607 
  
 
 
  
      46.98   47.17
      47.67   47.86
   
         21.59967643 
       3435.47965611 
      -6057.41233772 
        276.59761076 
       2535.09324019 
      -2512.33111915 
          0.00174078 
       -573.24974162 
       3508.37606032 
        634.15478610 
        634.15304532 
        634.15420584 
   
  
  
      59.36   59.35
      59.36   59.35
   
        -35.49901767 
        -35.50609628 
        -35.50137721 
   
  
  
      54.89   54.88
      54.89   54.89
   
       -175.86519817 
       -175.87499414 
       -175.86846350 
   
  
  
      54.53   54.53
      54.54   54.53
   
       -181.21887377 
       -181.24321678 
       -181.22698810 
   
  
  
      56.46   56.45
      56.67   56.66
   
       -181.35116352 
       -181.37542910 
       -181.35925205 
   
  
  
      49.11   49.10
      50.02   50.01
   
        -85.22019888 
        -85.21879414 
        -85.21973063 
   
  
  
      51.42   51.41
      52.43   52.42
   
       -140.67483743 
       -140.69332451 
       -140.68099979 
   
  
  
      52.16   52.16
      53.25   53.25
   
       -157.52316615 
       -157.53052039 
       -157.52561756 
   
  
  
      49.49   49.49
      50.45   50.44
   
       -181.54181651 
       -181.56048822 
       -181.54804041 
   
  
  
      51.24   51.24
      52.16   52.16
   
       -191.42435110 
       -191.44839356 
       -191.43236525 
   
  
  
      50.30   50.29
      51.20   51.20
   
       -195.82662358 
       -195.83703093 
       -195.83009269