vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:32 
 
 
  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      0.73000000      0.77000000      0.82000000      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 
    
   
   
           0.20593033       0.54816343       0.70695148 
           0.41576835       0.52104289       0.64398728 
           0.31284149       0.56878800       0.67299775 
           0.42600551       0.47199686       0.46181335 
           0.49196462       0.66418984       0.68315089 
           0.17813397       0.36642987       0.72662643 
           0.13866074       0.62663576       0.57013559 
           0.45093720       0.35904074       0.74956822 
           0.18749965       0.61934640       0.83580602 
           0.49541775       0.44714530       0.43513102 
           0.40471341       0.55710923       0.39940197 
           0.38379923       0.38572114       0.43574962 
           0.47297908       0.75102562       0.62169857 
           0.56188799       0.63891683       0.66175322 
           0.48697199       0.69311638       0.78872241 
           0.10639447       0.35364243       0.74650259 
           0.21500123       0.32134748       0.81038001 
           0.19420249       0.30953003       0.63540542 
           0.14745846       0.57318486       0.47481281 
           0.15827757       0.73150030       0.55476003 
           0.06720945       0.62496055       0.59544391 
           0.52928881       0.32109491       0.73730622 
           0.40169027       0.29354010       0.81697984 
           0.73663841       0.44343600       0.84776256 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       39
       -1
       -1
        49.00000000
        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
     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
           0.00000006
           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      0.73000000      0.77000000      0.82000000      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     16.00000000     12.01100000     10.81100000      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
        37.50000000
         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  
  
 
 
        24 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    C    3
    C    3
    C    3
    C    3
    B    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      16H       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 
   
  
  
          0.20593033       0.54816343       0.70695148 
          0.41576835       0.52104289       0.64398728 
          0.31284149       0.56878800       0.67299775 
          0.42600551       0.47199686       0.46181335 
          0.49196462       0.66418984       0.68315089 
          0.17813397       0.36642987       0.72662643 
          0.13866074       0.62663576       0.57013559 
          0.45093720       0.35904074       0.74956822 
          0.18749965       0.61934640       0.83580602 
          0.49541775       0.44714530       0.43513102 
          0.40471341       0.55710923       0.39940197 
          0.38379923       0.38572114       0.43574962 
          0.47297908       0.75102562       0.62169857 
          0.56188799       0.63891683       0.66175322 
          0.48697199       0.69311638       0.78872241 
          0.10639447       0.35364243       0.74650259 
          0.21500123       0.32134748       0.81038001 
          0.19420249       0.30953003       0.63540542 
          0.14745846       0.57318486       0.47481281 
          0.15827757       0.73150030       0.55476003 
          0.06720945       0.62496055       0.59544391 
          0.52928881       0.32109491       0.73730622 
          0.40169027       0.29354010       0.81697984 
          0.73663841       0.44343600       0.84776256 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       2.54    2.58
       3.38    3.41
   
          6.01222606 
       1465.79901486 
      -2507.52337394 
        103.46961951 
       1034.52956612 
      -1002.70602097 
          0.00274209 
       -309.23521214 
       1497.73000548 
        288.07856706 
        288.07582497 
        288.07765303 
   
  
  
       3.93    3.94
       3.94    3.94
   
        -38.40481882 
        -38.35213131 
        -38.38725632 
   
  
  
       3.81    3.82
       3.81    3.82
   
       -127.15848488 
       -127.10684382 
       -127.14127119 
   
  
  
       3.65    3.66
       3.65    3.66
   
       -132.67053424 
       -132.62866183 
       -132.65657677 
   
  
  
       3.94    3.95
       4.08    4.09
   
       -132.83735955 
       -132.79607008 
       -132.82359639 
   
  
  
       3.23    3.24
       4.07    4.08
   
       -119.22085178 
       -119.16443288 
       -119.20204548 
   
  
  
       3.54    3.56
       4.08    4.10
   
       -117.41609163 
       -117.35967274 
       -117.39728534 
   
  
  
       3.42    3.43
       3.88    3.89
   
       -116.82997028 
       -116.77779401 
       -116.81257819 
   
  
  
       3.44    3.45
       3.80    3.82
   
       -116.72212241 
       -116.64512807 
       -116.69645763 
   
  
  
       3.21    3.23
       3.58    3.60
   
       -116.66991276 
       -116.61987791 
       -116.65323448 
   
  
  
       2.83    2.85
       3.23    3.25
   
       -116.66803568 
       -116.62583491 
       -116.65396876 
   
  
  
       2.95    2.97
       3.38    3.40
   
       -116.66584875 
       -116.62294084 
       -116.65154611 
   
  
  
       2.73    2.75
       3.14    3.16
   
       -116.67031363 
       -116.62039502 
       -116.65367409 
   
  
  
       2.98    3.00
       3.38    3.39
   
       -116.67652896 
       -116.62743611 
       -116.66016468 
   
  
  
       2.67    2.68
       3.18    3.20
   
       -116.67928648 
       -116.62861793 
       -116.66239696 
   
  
  
       3.09    3.11
       3.88    3.90
   
       -116.68304083 
       -116.63398685 
       -116.66668950 
   
  
  
       2.96    2.97
       3.61    3.62
   
       -116.68608598 
       -116.63580713 
       -116.66932637 
   
  
  
       3.02    3.03
       3.58    3.60
   
       -116.68796616 
       -116.63720513 
       -116.67104582 
   
  
  
       3.03    3.04
       3.61    3.63
   
       -116.68845246 
       -116.63800722 
       -116.67163738 
   
  
  
       2.40    2.42
       2.96    2.97
   
       -116.68869761 
       -116.63863226 
       -116.67200916 
   
  
  
       2.59    2.60
       3.07    3.09
   
       -116.68877310 
       -116.63863526 
       -116.67206049