vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:21 
 
 
  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 
    
   
   
           0.31761152       0.45401022       0.47696002 
           0.52438891       0.43898044       0.56710553 
           0.48420631       0.47189133       0.74207875 
           0.43942099       0.48071642       0.43432287 
           0.59064281       0.18654895       0.62418459 
           0.69071454       0.19243047       0.59886200 
           0.21243662       0.56718129       0.67147306 
           0.15830893       0.67769075       0.60548251 
           0.66038933       0.54678014       0.41155656 
           0.67188723       0.59671397       0.64786101 
           0.27769152       0.22557683       0.64166196 
           0.26894744       0.20099978       0.39986525 
           0.28644443       0.28983322       0.51196004 
           0.61912973       0.53599102       0.54255029 
           0.54090552       0.27525880       0.54052007 
           0.29787228       0.55005042       0.60999652 
           0.53412543       0.44772269       0.81875465 
           0.42472450       0.41183692       0.76507266 
           0.44726529       0.58636146       0.40521635 
           0.45260533       0.42005169       0.34433202 
           0.56570547       0.08489323       0.60355303 
           0.57587945       0.20806433       0.73025804 
           0.72521742       0.11705869       0.66037780 
           0.71818785       0.29115428       0.62432161 
           0.70610802       0.17168368       0.49337157 
           0.17535801       0.47191852       0.66881507 
           0.22563258       0.59155391       0.77710977 
           0.09478084       0.69107514       0.65910279 
           0.14295006       0.65292937       0.50094303 
           0.19388245       0.77362503       0.60737532 
           0.67176702       0.65258957       0.38410874 
           0.61769475       0.50208949       0.33406064 
           0.72583668       0.49562899       0.40725662 
           0.63736891       0.59060713       0.74449216 
           0.68436193       0.70373382       0.62663322 
           0.73792391       0.54792934       0.65924599 
           0.29148147       0.29634058       0.72288591 
           0.32481528       0.14105311       0.65184321 
           0.20966636       0.18555963       0.65673719 
           0.31600514       0.11585962       0.39767835 
           0.27586598       0.25687293       0.30543555 
           0.20035075       0.16019732       0.40319894 
           0.46620513       0.57875664       0.75403744 
   
  
  
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          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 
   
  
  
          0.31761152       0.45401022       0.47696002 
          0.52438891       0.43898044       0.56710553 
          0.48420631       0.47189133       0.74207875 
          0.43942099       0.48071642       0.43432287 
          0.59064281       0.18654895       0.62418459 
          0.69071454       0.19243047       0.59886200 
          0.21243662       0.56718129       0.67147306 
          0.15830893       0.67769075       0.60548251 
          0.66038933       0.54678014       0.41155656 
          0.67188723       0.59671397       0.64786101 
          0.27769152       0.22557683       0.64166196 
          0.26894744       0.20099978       0.39986525 
          0.28644443       0.28983322       0.51196004 
          0.61912973       0.53599102       0.54255029 
          0.54090552       0.27525880       0.54052007 
          0.29787228       0.55005042       0.60999652 
          0.53412543       0.44772269       0.81875465 
          0.42472450       0.41183692       0.76507266 
          0.44726529       0.58636146       0.40521635 
          0.45260533       0.42005169       0.34433202 
          0.56570547       0.08489323       0.60355303 
          0.57587945       0.20806433       0.73025804 
          0.72521742       0.11705869       0.66037780 
          0.71818785       0.29115428       0.62432161 
          0.70610802       0.17168368       0.49337157 
          0.17535801       0.47191852       0.66881507 
          0.22563258       0.59155391       0.77710977 
          0.09478084       0.69107514       0.65910279 
          0.14295006       0.65292937       0.50094303 
          0.19388245       0.77362503       0.60737532 
          0.67176702       0.65258957       0.38410874 
          0.61769475       0.50208949       0.33406064 
          0.72583668       0.49562899       0.40725662 
          0.63736891       0.59060713       0.74449216 
          0.68436193       0.70373382       0.62663322 
          0.73792391       0.54792934       0.65924599 
          0.29148147       0.29634058       0.72288591 
          0.32481528       0.14105311       0.65184321 
          0.20966636       0.18555963       0.65673719 
          0.31600514       0.11585962       0.39767835 
          0.27586598       0.25687293       0.30543555 
          0.20035075       0.16019732       0.40319894 
          0.46620513       0.57875664       0.75403744 
  
 
 
  
      39.89   40.04
      40.54   40.69
   
         24.40464528 
       3505.24550884 
      -6014.33878126 
        283.19750499 
       2410.85780175 
      -2387.44800667 
         -0.01357965 
       -589.07164148 
       3407.80321003 
        640.63666182 
        640.65024147 
        640.64118837 
   
  
  
      49.94   49.93
      49.94   49.94
   
        -58.32580550 
        -58.33138284 
        -58.32766461 
   
  
  
      47.05   47.04
      47.05   47.04
   
       -198.08694548 
       -198.09275869 
       -198.08888322