vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:20 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.32016990       0.45393754       0.47496509 
           0.52637180       0.43442937       0.55997481 
           0.48006391       0.46843055       0.73341712 
           0.44198856       0.47223244       0.42628603 
           0.59491126       0.18330195       0.62251161 
           0.69582901       0.19500117       0.61064823 
           0.22228743       0.57397898       0.67546300 
           0.15683276       0.66693042       0.60504620 
           0.65999368       0.55709137       0.41135528 
           0.66970402       0.59447211       0.65054519 
           0.27431152       0.22440620       0.64270099 
           0.26192602       0.20800262       0.40079259 
           0.28642297       0.29123856       0.51459101 
           0.61867812       0.53780888       0.54122907 
           0.54794106       0.27177313       0.53594089 
           0.30356096       0.55688177       0.60303080 
           0.52850099       0.45249308       0.81375657 
           0.42232712       0.40428128       0.75741980 
           0.45192061       0.57524919       0.39133566 
           0.45207698       0.40577452       0.34015118 
           0.57388285       0.08108370       0.59623204 
           0.57338191       0.20118594       0.72618850 
           0.72857296       0.11972366       0.67450303 
           0.71945780       0.29431229       0.64227437 
           0.71818015       0.17806170       0.50721098 
           0.19116352       0.47544722       0.69251516 
           0.24130463       0.61552958       0.77341582 
           0.09717214       0.68070432       0.66773681 
           0.13543876       0.62521034       0.50864087 
           0.18565873       0.76634998       0.58706572 
           0.67036037       0.66440655       0.39019689 
           0.61805907       0.51636812       0.33084080 
           0.72602052       0.50831445       0.40365498 
           0.63442142       0.58225877       0.74592461 
           0.68072340       0.70287408       0.63540849 
           0.73635754       0.54741041       0.66100995 
           0.29525939       0.28806180       0.72606809 
           0.31409467       0.13146067       0.64769348 
           0.20383046       0.19673746       0.65952140 
           0.30217878       0.11549676       0.39629908 
           0.27313682       0.26465485       0.30770625 
           0.19055751       0.17961335       0.40310459 
           0.45773207       0.57482009       0.73828566 
   
  
  
           1 
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          32 
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          36 
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          38 
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          42 
          43 
  
 
 
  
          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
       92
       -1
       -1
        97.00000000
        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
      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
           0.00000003
           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
        20.93023256
         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  
  
 
 
        43 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    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
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      27H       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 
   
  
  
          0.32016990       0.45393754       0.47496509 
          0.52637180       0.43442937       0.55997481 
          0.48006391       0.46843055       0.73341712 
          0.44198856       0.47223244       0.42628603 
          0.59491126       0.18330195       0.62251161 
          0.69582901       0.19500117       0.61064823 
          0.22228743       0.57397898       0.67546300 
          0.15683276       0.66693042       0.60504620 
          0.65999368       0.55709137       0.41135528 
          0.66970402       0.59447211       0.65054519 
          0.27431152       0.22440620       0.64270099 
          0.26192602       0.20800262       0.40079259 
          0.28642297       0.29123856       0.51459101 
          0.61867812       0.53780888       0.54122907 
          0.54794106       0.27177313       0.53594089 
          0.30356096       0.55688177       0.60303080 
          0.52850099       0.45249308       0.81375657 
          0.42232712       0.40428128       0.75741980 
          0.45192061       0.57524919       0.39133566 
          0.45207698       0.40577452       0.34015118 
          0.57388285       0.08108370       0.59623204 
          0.57338191       0.20118594       0.72618850 
          0.72857296       0.11972366       0.67450303 
          0.71945780       0.29431229       0.64227437 
          0.71818015       0.17806170       0.50721098 
          0.19116352       0.47544722       0.69251516 
          0.24130463       0.61552958       0.77341582 
          0.09717214       0.68070432       0.66773681 
          0.13543876       0.62521034       0.50864087 
          0.18565873       0.76634998       0.58706572 
          0.67036037       0.66440655       0.39019689 
          0.61805907       0.51636812       0.33084080 
          0.72602052       0.50831445       0.40365498 
          0.63442142       0.58225877       0.74592461 
          0.68072340       0.70287408       0.63540849 
          0.73635754       0.54741041       0.66100995 
          0.29525939       0.28806180       0.72606809 
          0.31409467       0.13146067       0.64769348 
          0.20383046       0.19673746       0.65952140 
          0.30217878       0.11549676       0.39629908 
          0.27313682       0.26465485       0.30770625 
          0.19055751       0.17961335       0.40310459 
          0.45773207       0.57482009       0.73828566 
  
 
 
  
      39.92   40.13
      40.57   40.78
   
         24.40464528 
       3488.02490788 
      -5996.92054189 
        283.22140751 
       2410.85780175 
      -2387.44800667 
         -0.01315253 
       -591.63938720 
       3407.80321003 
        638.29088415 
        638.30403668 
        638.29526833 
   
  
  
      49.96   49.95
      49.96   49.96
   
        -57.98393842 
        -57.98515212 
        -57.98434298 
   
  
  
      47.43   47.42
      47.43   47.42
   
       -197.93436295 
       -197.94019957 
       -197.93630849