vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:45 
 
 
  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 
    
   
   
           0.32123961       0.49128156       0.54312828 
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           0.41100002       0.43671543       0.66637855 
           0.40794876       0.52660200       0.40839297 
           0.49673704       0.73688230       0.66351446 
           0.22379738       0.64300167       0.70165023 
           0.56084752       0.21313251       0.40445629 
           0.58761439       0.23536468       0.63366117 
           0.22129331       0.26549027       0.58247703 
           0.19323904       0.40074753       0.37986968 
           0.24670410       0.37537479       0.49854436 
           0.54621642       0.31678613       0.51780060 
           0.54052103       0.63350797       0.58798000 
           0.28310717       0.63928472       0.59098745 
           0.61680893       0.49477453       0.41652669 
           0.41398992       0.48424685       0.76528810 
           0.41291615       0.33033192       0.68214949 
           0.42371269       0.62959681       0.37709516 
           0.40227887       0.46763402       0.32008012 
           0.43804071       0.77795289       0.60482499 
           0.55007741       0.81088944       0.67673045 
           0.47547561       0.69179160       0.75999619 
           0.25854339       0.61074785       0.79476169 
           0.20277225       0.74645584       0.71815519 
           0.16279109       0.58098975       0.68699840 
           0.63198448       0.18172381       0.37545208 
           0.52533359       0.25097915       0.32251759 
           0.52482489       0.12353490       0.43949176 
           0.56813507       0.28750932       0.72429471 
           0.66264393       0.21096158       0.64052706 
           0.55096041       0.14178917       0.63797846 
           0.26647055       0.25914157       0.67122027 
           0.22500492       0.17356499       0.52264524 
           0.15222802       0.27714922       0.61530988 
           0.19502764       0.31184560       0.31510035 
           0.21838181       0.48825018       0.32354899 
           0.12312479       0.41737164       0.40638349 
           0.64645375       0.59546495       0.41242939 
           0.63244453       0.40250023       0.43389101 
   
  
  
           1 
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           5 
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           7 
           8 
           9 
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          28 
          29 
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          31 
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          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 
   
  
  
          0.32123961       0.49128156       0.54312828 
          0.49954690       0.47441008       0.53110032 
          0.41100002       0.43671543       0.66637855 
          0.40794876       0.52660200       0.40839297 
          0.49673704       0.73688230       0.66351446 
          0.22379738       0.64300167       0.70165023 
          0.56084752       0.21313251       0.40445629 
          0.58761439       0.23536468       0.63366117 
          0.22129331       0.26549027       0.58247703 
          0.19323904       0.40074753       0.37986968 
          0.24670410       0.37537479       0.49854436 
          0.54621642       0.31678613       0.51780060 
          0.54052103       0.63350797       0.58798000 
          0.28310717       0.63928472       0.59098745 
          0.61680893       0.49477453       0.41652669 
          0.41398992       0.48424685       0.76528810 
          0.41291615       0.33033192       0.68214949 
          0.42371269       0.62959681       0.37709516 
          0.40227887       0.46763402       0.32008012 
          0.43804071       0.77795289       0.60482499 
          0.55007741       0.81088944       0.67673045 
          0.47547561       0.69179160       0.75999619 
          0.25854339       0.61074785       0.79476169 
          0.20277225       0.74645584       0.71815519 
          0.16279109       0.58098975       0.68699840 
          0.63198448       0.18172381       0.37545208 
          0.52533359       0.25097915       0.32251759 
          0.52482489       0.12353490       0.43949176 
          0.56813507       0.28750932       0.72429471 
          0.66264393       0.21096158       0.64052706 
          0.55096041       0.14178917       0.63797846 
          0.26647055       0.25914157       0.67122027 
          0.22500492       0.17356499       0.52264524 
          0.15222802       0.27714922       0.61530988 
          0.19502764       0.31184560       0.31510035 
          0.21838181       0.48825018       0.32354899 
          0.12312479       0.41737164       0.40638349 
          0.64645375       0.59546495       0.41242939 
          0.63244453       0.40250023       0.43389101 
  
 
 
  
      10.24   10.37
      10.73   10.86
   
         21.59967643 
       3975.82118957 
      -6606.31295823 
        266.29350470 
       2545.15452263 
      -2522.51425245 
          0.01462829 
       -565.28162139 
       3508.37606032 
        623.15074987 
        623.13612158 
        623.14587377 
   
  
  
      16.09   16.10
      16.09   16.10
   
        -66.20788702 
        -66.21086643 
        -66.20888016 
   
  
  
      13.60   13.62
      13.60   13.62
   
       -223.82228923 
       -223.83596959 
       -223.82684935 
   
  
  
      14.28   14.29
      14.28   14.29
   
       -231.37229718 
       -231.38477944 
       -231.37645793 
   
  
  
      15.62   15.63
      15.72   15.73
   
       -231.59466931 
       -231.60701564 
       -231.59878475 
   
  
  
      13.67   13.70
      14.07   14.10
   
       -211.52768365 
       -211.54746307 
       -211.53427679 
   
  
  
      14.57   14.61
      14.96   15.01
   
       -208.48662829 
       -208.51089496 
       -208.49471718 
   
  
  
      14.10   14.15
      14.49   14.55
   
       -207.63822805 
       -207.65287046 
       -207.64310885 
   
  
  
      13.95   14.00
      14.36   14.41
   
       -207.45654510 
       -207.48204213 
       -207.46504411 
   
  
  
      14.04   14.09
      14.43   14.49
   
       -207.43709846 
       -207.45526444 
       -207.44315379 
   
  
  
      14.46   14.51
      14.87   14.93
   
       -207.42021689 
       -207.44594858 
       -207.42879412 
   
  
  
      14.53   14.57
      14.93   14.97
   
       -207.42253222 
       -207.44634101 
       -207.43046848 
   
  
  
      13.55   13.61
      13.96   14.02
   
       -207.41303875 
       -207.43915127 
       -207.42174292 
   
  
  
      12.60   12.65
      12.99   13.04
   
       -207.41140341 
       -207.43592845 
       -207.41957842 
   
  
  
      13.63   13.71
      14.05   14.12
   
       -207.41896605 
       -207.44362009 
       -207.42718407 
   
  
  
      13.41   13.45
      13.83   13.87
   
       -207.42285827 
       -207.44747967 
       -207.43106541 
   
  
  
      13.73   13.79
      14.14   14.20
   
       -207.42685811 
       -207.45144632 
       -207.43505418 
   
  
  
      13.79   13.84
      14.19   14.24
   
       -207.43023257 
       -207.45484646 
       -207.43843720 
   
  
  
      13.12   13.18
      13.53   13.59
   
       -207.43289632 
       -207.45747645 
       -207.44108970 
   
  
  
      13.35   13.41
      13.76   13.82
   
       -207.43368875 
       -207.45825833 
       -207.44187861 
   
  
  
      13.73   13.78
      14.14   14.21
   
       -207.43442090 
       -207.45901101 
       -207.44261760 
   
  
  
      11.24   11.30
      11.63   11.68
   
       -207.43457251 
       -207.45915785 
       -207.44276762 
   
  
  
      11.02   11.07
      11.43   11.48
   
       -207.43469446 
       -207.45926421 
       -207.44288438 
   
  
  
      10.42   10.47
      10.82   10.87
   
       -207.43475694 
       -207.45933514 
       -207.44294967 
   
  
  
       6.63    6.70
       7.05    7.13
   
       -207.43479912 
       -207.45938694 
       -207.44299506