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 
    
   
   
           0.30620339       0.50833151       0.55642023 
           0.47878743       0.51028796       0.59028167 
           0.37900187       0.48661922       0.70637660 
           0.40327378       0.51820039       0.43642505 
           0.53926306       0.73845012       0.70342300 
           0.19176589       0.69607158       0.64321249 
           0.57971338       0.23089044       0.34311103 
           0.56763256       0.12691532       0.55350141 
           0.19569393       0.29665504       0.63746512 
           0.19501274       0.35406672       0.40245675 
           0.23482886       0.37704461       0.53229581 
           0.58888820       0.24345149       0.48258158 
           0.52355049       0.65323989       0.59786527 
           0.25907259       0.65778011       0.55106744 
           0.59798339       0.44839182       0.66218295 
           0.37199297       0.56387163       0.78372054 
           0.37694837       0.38919089       0.75524516 
           0.40937625       0.61106061       0.37906329 
           0.40874197       0.43401876       0.36912852 
           0.48914016       0.81539190       0.69889274 
           0.60512285       0.78099444       0.69349247 
           0.53017372       0.68851127       0.79760915 
           0.21562108       0.69064734       0.74719374 
           0.17371702       0.79989800       0.62148552 
           0.13162748       0.63348233       0.63439830 
           0.62347311       0.30361057       0.30197198 
           0.51485216       0.26486958       0.31161970 
           0.58856651       0.13962195       0.29040862 
           0.50043066       0.13632506       0.58708665 
           0.60566384       0.12828065       0.64307392 
           0.57561140       0.02919568       0.51378431 
           0.22883058       0.31687519       0.73287804 
           0.20292085       0.18900091       0.61564691 
           0.12363327       0.31631077       0.65066999 
           0.20124186       0.24816687       0.37325196 
           0.22860958       0.41487986       0.32625520 
           0.12331162       0.37913995       0.40111423 
           0.59967725       0.38405548       0.57737019 
           0.68770329       0.26426217       0.53860047 
   
  
  
           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 
          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 
   
  
  
          0.30620339       0.50833151       0.55642023 
          0.47878743       0.51028796       0.59028167 
          0.37900187       0.48661922       0.70637660 
          0.40327378       0.51820039       0.43642505 
          0.53926306       0.73845012       0.70342300 
          0.19176589       0.69607158       0.64321249 
          0.57971338       0.23089044       0.34311103 
          0.56763256       0.12691532       0.55350141 
          0.19569393       0.29665504       0.63746512 
          0.19501274       0.35406672       0.40245675 
          0.23482886       0.37704461       0.53229581 
          0.58888820       0.24345149       0.48258158 
          0.52355049       0.65323989       0.59786527 
          0.25907259       0.65778011       0.55106744 
          0.59798339       0.44839182       0.66218295 
          0.37199297       0.56387163       0.78372054 
          0.37694837       0.38919089       0.75524516 
          0.40937625       0.61106061       0.37906329 
          0.40874197       0.43401876       0.36912852 
          0.48914016       0.81539190       0.69889274 
          0.60512285       0.78099444       0.69349247 
          0.53017372       0.68851127       0.79760915 
          0.21562108       0.69064734       0.74719374 
          0.17371702       0.79989800       0.62148552 
          0.13162748       0.63348233       0.63439830 
          0.62347311       0.30361057       0.30197198 
          0.51485216       0.26486958       0.31161970 
          0.58856651       0.13962195       0.29040862 
          0.50043066       0.13632506       0.58708665 
          0.60566384       0.12828065       0.64307392 
          0.57561140       0.02919568       0.51378431 
          0.22883058       0.31687519       0.73287804 
          0.20292085       0.18900091       0.61564691 
          0.12363327       0.31631077       0.65066999 
          0.20124186       0.24816687       0.37325196 
          0.22860958       0.41487986       0.32625520 
          0.12331162       0.37913995       0.40111423 
          0.59967725       0.38405548       0.57737019 
          0.68770329       0.26426217       0.53860047 
  
 
 
  
      46.61   46.75
      47.27   47.41
   
         21.59967643 
       3443.50038513 
      -6065.78130780 
        276.72196726 
       2535.09324019 
      -2512.33111915 
         -0.00857272 
       -573.58752337 
       3508.37606032 
        633.58280629 
        633.59137901 
        633.58566386 
   
  
  
      59.25   59.24
      59.25   59.24
   
        -37.19560809 
        -37.17298934 
        -37.18806851 
   
  
  
      55.11   55.11
      55.12   55.11
   
       -177.59162236 
       -177.59803031 
       -177.59375835 
   
  
  
      54.85   54.84
      54.85   54.85
   
       -182.95333185 
       -182.95913017 
       -182.95526462 
   
  
  
      56.16   56.15
      56.34   56.33
   
       -183.07972640 
       -183.08552441 
       -183.08165907 
   
  
  
      49.99   49.99
      50.83   50.83
   
        -83.13584494 
        -83.15187171 
        -83.14118720 
   
  
  
      51.90   51.90
      52.88   52.88
   
       -142.58987031 
       -142.60222140 
       -142.59398734 
   
  
  
      51.59   51.59
      52.49   52.49
   
       -158.45850177 
       -158.47541954 
       -158.46414103 
   
  
  
      48.99   48.98
      49.99   49.99
   
       -184.78739917 
       -184.80100673 
       -184.79193502 
   
  
  
      51.76   51.75
      52.68   52.68
   
       -195.21165948 
       -195.22795238 
       -195.21709045 
   
  
  
      50.69   50.69
      51.54   51.53
   
       -200.41616712 
       -200.42602021 
       -200.41945148