vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 07 
  20:16:39 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.30915100       0.50294129       0.55708113 
           0.47695226       0.52183724       0.59656255 
           0.37909704       0.48482897       0.71251664 
           0.40927053       0.50225413       0.43955496 
           0.53502831       0.75231211       0.69447745 
           0.19882791       0.69001021       0.65104315 
           0.58452837       0.23998949       0.34446699 
           0.56677297       0.13209432       0.57071783 
           0.19420975       0.29314320       0.63177900 
           0.19230359       0.35930713       0.39906082 
           0.23510480       0.37416301       0.52842949 
           0.61169946       0.24441291       0.49117904 
           0.49941877       0.68437361       0.58249111 
           0.26488728       0.65548002       0.55413798 
           0.56536353       0.44266737       0.64688405 
           0.37208515       0.54937389       0.80100122 
           0.39247163       0.37979809       0.74410219 
           0.42136882       0.59325503       0.38042360 
           0.41208744       0.41570393       0.37246644 
           0.49636540       0.84436280       0.71045060 
           0.60502239       0.77980120       0.67152116 
           0.53118347       0.69174029       0.78691003 
           0.22325770       0.67875942       0.75523153 
           0.18147072       0.79524642       0.63289539 
           0.13885065       0.62660498       0.63918927 
           0.63288238       0.30492149       0.29478271 
           0.51758569       0.28240801       0.33014898 
           0.58267753       0.13602884       0.30075899 
           0.49932493       0.16702629       0.59494454 
           0.60784865       0.12540749       0.66100844 
           0.56433991       0.03488083       0.51456142 
           0.22819032       0.30953160       0.72759477 
           0.19862744       0.18532142       0.60729258 
           0.12265432       0.31754310       0.64505414 
           0.19566145       0.25456964       0.36372074 
           0.22522069       0.42299828       0.32431749 
           0.12112971       0.38863326       0.40352332 
           0.58805146       0.37543718       0.58126624 
           0.67668600       0.22888958       0.49908009 
   
  
  
           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 
          33 
          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  
   
   
        60
        -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
  
  
        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 
   
  
  
          0.30915100       0.50294129       0.55708113 
          0.47695226       0.52183724       0.59656255 
          0.37909704       0.48482897       0.71251664 
          0.40927053       0.50225413       0.43955496 
          0.53502831       0.75231211       0.69447745 
          0.19882791       0.69001021       0.65104315 
          0.58452837       0.23998949       0.34446699 
          0.56677297       0.13209432       0.57071783 
          0.19420975       0.29314320       0.63177900 
          0.19230359       0.35930713       0.39906082 
          0.23510480       0.37416301       0.52842949 
          0.61169946       0.24441291       0.49117904 
          0.49941877       0.68437361       0.58249111 
          0.26488728       0.65548002       0.55413798 
          0.56536353       0.44266737       0.64688405 
          0.37208515       0.54937389       0.80100122 
          0.39247163       0.37979809       0.74410219 
          0.42136882       0.59325503       0.38042360 
          0.41208744       0.41570393       0.37246644 
          0.49636540       0.84436280       0.71045060 
          0.60502239       0.77980120       0.67152116 
          0.53118347       0.69174029       0.78691003 
          0.22325770       0.67875942       0.75523153 
          0.18147072       0.79524642       0.63289539 
          0.13885065       0.62660498       0.63918927 
          0.63288238       0.30492149       0.29478271 
          0.51758569       0.28240801       0.33014898 
          0.58267753       0.13602884       0.30075899 
          0.49932493       0.16702629       0.59494454 
          0.60784865       0.12540749       0.66100844 
          0.56433991       0.03488083       0.51456142 
          0.22819032       0.30953160       0.72759477 
          0.19862744       0.18532142       0.60729258 
          0.12265432       0.31754310       0.64505414 
          0.19566145       0.25456964       0.36372074 
          0.22522069       0.42299828       0.32431749 
          0.12112971       0.38863326       0.40352332 
          0.58805146       0.37543718       0.58126624 
          0.67668600       0.22888958       0.49908009 
  
 
 
  
      17.60   17.78
      17.90   18.08
   
         21.59967643 
       3549.53955966 
      -6174.66057749 
        265.99061915 
       2545.15452263 
      -2522.51425245 
         -0.00799830 
       -565.59418428 
       3508.37606032 
        627.88342566 
        627.89142396 
        627.88609176 
   
  
  
      21.26   21.26
      21.26   21.26
   
        -65.23066303 
        -65.23404358 
        -65.23178988 
   
  
  
      19.18   19.17
      19.18   19.18
   
       -226.90120108 
       -226.91344249 
       -226.90528155 
   
  
  
      20.08   20.07
      20.08   20.08
   
       -234.57537134 
       -234.58698175 
       -234.57924147 
   
  
  
      21.50   21.50
      21.60   21.60
   
       -234.75248902 
       -234.76408493 
       -234.75635433 
   
  
  
      18.88   18.88
      19.29   19.29
   
       -214.85916866 
       -214.87076541 
       -214.86303424 
   
  
  
      19.81   19.81
      20.20   20.20
   
       -211.89854963 
       -211.91014562 
       -211.90241496 
   
  
  
      19.62   19.62
      20.01   20.01
   
       -211.05024951 
       -211.06184558 
       -211.05411487 
   
  
  
      19.25   19.25
      19.65   19.64
   
       -210.88324663 
       -210.89484275 
       -210.88711200 
   
  
  
      19.48   19.48
      19.88   19.87
   
       -210.85553801 
       -210.86713413 
       -210.85940338 
   
  
  
      18.71   18.70
      19.10   19.10
   
       -210.84456453 
       -210.85616069 
       -210.84842992 
   
  
  
      17.83   17.83
      18.26   18.26
   
       -210.84524100 
       -210.85683720 
       -210.84910640