vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.31143488       0.49004325       0.54859675 
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           0.58322835       0.24347807       0.62922921 
           0.20549605       0.26290862       0.58658572 
           0.18298661       0.39282783       0.37638447 
           0.23295802       0.37370869       0.50183358 
           0.53973626       0.31492626       0.51968753 
           0.55182489       0.58485293       0.58718190 
           0.27391739       0.64132456       0.59002702 
           0.70702201       0.51468505       0.42348657 
           0.39914291       0.49044144       0.76989126 
           0.38832884       0.32730833       0.70866851 
           0.42206896       0.61825715       0.38543761 
           0.39391655       0.45481207       0.32688902 
           0.45896774       0.75075484       0.57731183 
           0.57699247       0.77860937       0.64163291 
           0.49301070       0.68902587       0.74981932 
           0.25066498       0.62000642       0.79613403 
           0.19934723       0.75682003       0.71351177 
           0.15513238       0.59257210       0.69172472 
           0.63379906       0.23910426       0.36880814 
           0.52596429       0.29316831       0.31527529 
           0.53478953       0.14165112       0.40301292 
           0.56223856       0.29614722       0.71859052 
           0.65796841       0.23891052       0.62632998 
           0.55514167       0.14024971       0.63292288 
           0.24808138       0.25956717       0.67600931 
           0.21180404       0.17022737       0.52830855 
           0.13535958       0.27513233       0.61459791 
           0.18837499       0.30084135       0.31626086 
           0.21068084       0.47806287       0.32085092 
           0.11219368       0.41097759       0.39879406 
           0.66534349       0.55919653       0.46350646 
           0.68347747       0.42089380       0.46594199 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          25 
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          28 
          29 
          30 
          31 
          32 
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          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
       66
       -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
   
   
         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      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
           0.00000004
           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
   
  
  
       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
  
  
        3
        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
      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  
  
 
 
        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 
   
  
  
          0.31143488       0.49004325       0.54859675 
          0.48421931       0.45968342       0.54513228 
          0.39221674       0.43112734       0.67808464 
          0.39756598       0.51926240       0.41561120 
          0.51678612       0.70973685       0.64316105 
          0.21700653       0.65149003       0.70331065 
          0.56104930       0.24298618       0.39479487 
          0.58322835       0.24347807       0.62922921 
          0.20549605       0.26290862       0.58658572 
          0.18298661       0.39282783       0.37638447 
          0.23295802       0.37370869       0.50183358 
          0.53973626       0.31492626       0.51968753 
          0.55182489       0.58485293       0.58718190 
          0.27391739       0.64132456       0.59002702 
          0.70702201       0.51468505       0.42348657 
          0.39914291       0.49044144       0.76989126 
          0.38832884       0.32730833       0.70866851 
          0.42206896       0.61825715       0.38543761 
          0.39391655       0.45481207       0.32688902 
          0.45896774       0.75075484       0.57731183 
          0.57699247       0.77860937       0.64163291 
          0.49301070       0.68902587       0.74981932 
          0.25066498       0.62000642       0.79613403 
          0.19934723       0.75682003       0.71351177 
          0.15513238       0.59257210       0.69172472 
          0.63379906       0.23910426       0.36880814 
          0.52596429       0.29316831       0.31527529 
          0.53478953       0.14165112       0.40301292 
          0.56223856       0.29614722       0.71859052 
          0.65796841       0.23891052       0.62632998 
          0.55514167       0.14024971       0.63292288 
          0.24808138       0.25956717       0.67600931 
          0.21180404       0.17022737       0.52830855 
          0.13535958       0.27513233       0.61459791 
          0.18837499       0.30084135       0.31626086 
          0.21068084       0.47806287       0.32085092 
          0.11219368       0.41097759       0.39879406 
          0.66534349       0.55919653       0.46350646 
          0.68347747       0.42089380       0.46594199 
  
 
 
  
      12.51   12.53
      12.87   12.89
   
         21.59967643 
       3552.21651264 
      -6176.74439744 
        266.06386811 
       2545.15452263 
      -2522.51425245 
         -0.01678657 
       -590.64925324 
       3508.37606032 
        603.48595044 
        603.50273701 
        603.49154596 
   
  
  
      15.79   15.80
      15.79   15.81
   
        -74.54113624 
        -74.54269589 
        -74.54165612 
   
  
  
      13.72   13.74
      13.72   13.74
   
       -225.79388418 
       -225.81135634 
       -225.79970823 
   
  
  
      14.27   14.29
      14.27   14.29
   
       -232.93621716 
       -232.95636668 
       -232.94293367 
   
  
  
      15.47   15.49
      15.57   15.59
   
       -233.14335920 
       -233.16278313 
       -233.14983385 
   
  
  
      13.85   13.90
      14.22   14.26
   
       -213.12969465 
       -213.14533561 
       -213.13490830 
   
  
  
      14.51   14.57
      14.87   14.93
   
       -210.33914531 
       -210.35174214 
       -210.34334425 
   
  
  
      14.02   14.06
      14.40   14.45
   
       -209.51088169 
       -209.52270793 
       -209.51482377 
   
  
  
      13.95   13.99
      14.32   14.36
   
       -209.37420449 
       -209.38595418 
       -209.37812105 
   
  
  
      14.24   14.29
      14.63   14.67
   
       -209.35673761 
       -209.36851508 
       -209.36066343 
   
  
  
      13.37   13.43
      13.75   13.81
   
       -209.35709598 
       -209.36882010 
       -209.36100402 
   
  
  
      13.28   13.34
      13.70   13.76
   
       -209.36120778 
       -209.37293061 
       -209.36511539 
   
  
  
      12.65   12.69
      13.06   13.10
   
       -209.37047784 
       -209.38221350 
       -209.37438973 
   
  
  
      15.17   15.23
      15.56   15.62
   
       -209.37663292 
       -209.38835899 
       -209.38054161 
   
  
  
      13.48   13.56
      13.88   13.96
   
       -209.38203265 
       -209.39376786 
       -209.38594439 
   
  
  
      14.11   14.16
      14.54   14.59
   
       -209.38577068 
       -209.39751186 
       -209.38968440 
   
  
  
      13.29   13.33
      13.69   13.74
   
       -209.38797770 
       -209.39971798 
       -209.39189113 
   
  
  
      13.47   13.52
      13.89   13.94
   
       -209.38845030 
       -209.40019204 
       -209.39236421 
   
  
  
      11.61   11.67
      11.99   12.05
   
       -209.38880015 
       -209.40054343 
       -209.39271458 
   
  
  
      11.19   11.25
      11.56   11.62
   
       -209.38888438 
       -209.40062752 
       -209.39279876 
   
  
  
      11.11   11.16
      11.49   11.55
   
       -209.38894550 
       -209.40068791 
       -209.39285963 
   
  
  
      11.28   11.35
      11.68   11.75
   
       -209.38895764 
       -209.40070029 
       -209.39287185 
   
  
  
      10.31   10.38
      10.72   10.79
   
       -209.38896799 
       -209.40071090 
       -209.39288230 
   
  
  
      11.08   11.13
      11.36   11.41
   
         21.59967643 
       3552.21651264 
      -6572.17014829 
        287.29898169 
       7860.04681070 
      -7840.05663649 
          0.01174276 
      -1026.71196855 
       3508.37606032 
       -209.38896880 
       -209.40071156 
       -209.39288305