vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 07 
  23:11:18 
 
 
  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 
    
   
   
           0.30560325       0.49936929       0.55214985 
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           0.39785308       0.51365765       0.42593677 
           0.54072724       0.71375143       0.66560869 
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           0.55586768       0.15593162       0.57057688 
           0.18970779       0.29074952       0.62407605 
           0.18531517       0.36625134       0.39447054 
           0.22857415       0.37674555       0.52343105 
           0.55262085       0.26999856       0.49074505 
           0.53996639       0.59793187       0.58782597 
           0.26458704       0.65198206       0.56639915 
           0.66709973       0.44695643       0.69249807 
           0.38384493       0.52948202       0.77503395 
           0.37616647       0.35719406       0.73649603 
           0.40673638       0.61160238       0.37984049 
           0.39675582       0.43822471       0.34821876 
           0.48738850       0.77690223       0.63196744 
           0.60422277       0.76159937       0.65368046 
           0.52562906       0.68810960       0.76684103 
           0.22721699       0.66996558       0.76695472 
           0.18490002       0.79172313       0.65383325 
           0.13889075       0.62724422       0.65530490 
           0.63147690       0.28685673       0.33195102 
           0.52307239       0.30829908       0.29970246 
           0.56249189       0.15242326       0.30738940 
           0.50541137       0.17110994       0.64345616 
           0.61554016       0.15291106       0.62790608 
           0.54891421       0.05616723       0.53506609 
           0.22518694       0.30193371       0.71901769 
           0.19380657       0.18480140       0.59398196 
           0.11854270       0.31317195       0.64218605 
           0.18818709       0.26271868       0.35698062 
           0.21862237       0.43098842       0.32139725 
           0.11434572       0.39495903       0.39935912 
           0.62100160       0.43467848       0.60617777 
           0.70503771       0.31896316       0.61709912 
   
  
  
           1 
           2 
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           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          25 
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          28 
          29 
          30 
          31 
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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
       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 
   
  
  
          0.30560325       0.49936929       0.55214985 
          0.47519672       0.47352013       0.56424569 
          0.38290459       0.45653105       0.69333189 
          0.39785308       0.51365765       0.42593677 
          0.54072724       0.71375143       0.66560869 
          0.20074143       0.68561537       0.66557071 
          0.56750503       0.24703679       0.35591980 
          0.55586768       0.15593162       0.57057688 
          0.18970779       0.29074952       0.62407605 
          0.18531517       0.36625134       0.39447054 
          0.22857415       0.37674555       0.52343105 
          0.55262085       0.26999856       0.49074505 
          0.53996639       0.59793187       0.58782597 
          0.26458704       0.65198206       0.56639915 
          0.66709973       0.44695643       0.69249807 
          0.38384493       0.52948202       0.77503395 
          0.37616647       0.35719406       0.73649603 
          0.40673638       0.61160238       0.37984049 
          0.39675582       0.43822471       0.34821876 
          0.48738850       0.77690223       0.63196744 
          0.60422277       0.76159937       0.65368046 
          0.52562906       0.68810960       0.76684103 
          0.22721699       0.66996558       0.76695472 
          0.18490002       0.79172313       0.65383325 
          0.13889075       0.62724422       0.65530490 
          0.63147690       0.28685673       0.33195102 
          0.52307239       0.30829908       0.29970246 
          0.56249189       0.15242326       0.30738940 
          0.50541137       0.17110994       0.64345616 
          0.61554016       0.15291106       0.62790608 
          0.54891421       0.05616723       0.53506609 
          0.22518694       0.30193371       0.71901769 
          0.19380657       0.18480140       0.59398196 
          0.11854270       0.31317195       0.64218605 
          0.18818709       0.26271868       0.35698062 
          0.21862237       0.43098842       0.32139725 
          0.11434572       0.39495903       0.39935912 
          0.62100160       0.43467848       0.60617777 
          0.70503771       0.31896316       0.61709912 
  
 
 
  
      47.94   48.11
      48.63   48.80
   
         21.59967643 
       3391.77645849 
      -6017.59510030 
        276.38250995 
       2535.09324019 
      -2512.33111915 
         -0.00647351 
       -580.57679175 
       3508.37606032 
        622.71846066 
        622.72493417 
        622.72061850 
   
  
  
      59.47   59.47
      59.48   59.47
   
        -38.00139031 
        -38.00417775 
        -38.00231946 
   
  
  
      54.80   54.79
      54.80   54.79
   
       -175.92953770 
       -175.93652031 
       -175.93186523 
   
  
  
      54.41   54.40
      54.41   54.40
   
       -181.27722023 
       -181.28327392 
       -181.27923813 
   
  
  
      56.39   56.38
      56.59   56.59
   
       -181.40800219 
       -181.41405513 
       -181.41001984 
   
  
  
      49.72   49.71
      50.68   50.67
   
        -81.15895304 
        -81.16959367 
        -81.16249992 
   
  
  
      51.04   51.03
      51.97   51.96
   
       -141.74010156 
       -141.67257349 
       -141.71759220 
   
  
  
      51.96   51.96
      52.84   52.83
   
       -158.42103571 
       -158.44613660 
       -158.42940267 
   
  
  
      51.15   51.14
      52.04   52.04
   
       -173.77083632 
       -173.74245109 
       -173.76137458 
   
  
  
      48.96   48.96
      49.88   49.88
   
       -187.57531557 
       -187.59081264 
       -187.58048126 
   
  
  
      50.99   50.98
      51.94   51.93
   
       -193.99931431 
       -194.01168981 
       -194.00343948 
   
  
  
      49.01   49.01
      49.91   49.91
   
       -199.07132356 
       -199.08463796 
       -199.07576170