vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:35 
 
 
  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 
    
   
   
           0.21181343       0.54848425       0.70816642 
           0.42198515       0.52441849       0.64653743 
           0.31909101       0.56957103       0.67458005 
           0.43110180       0.46665448       0.46569935 
           0.49769132       0.66821699       0.68077747 
           0.18463551       0.36643181       0.72742705 
           0.14527348       0.62731740       0.57094506 
           0.45527154       0.36749445       0.75172795 
           0.19304612       0.61916112       0.83714888 
           0.50031890       0.44102817       0.43871804 
           0.40897462       0.54831851       0.39874175 
           0.38907082       0.37890046       0.44459755 
           0.48005819       0.75309217       0.61624243 
           0.56773515       0.64081006       0.66296673 
           0.49117106       0.69922510       0.78553932 
           0.11331578       0.35309104       0.75017383 
           0.22315375       0.32103961       0.80937726 
           0.19925512       0.31017856       0.63522162 
           0.15563787       0.57526640       0.47520874 
           0.16432800       0.73265486       0.55744398 
           0.07357603       0.62414634       0.59439020 
           0.54035254       0.34323149       0.72918699 
           0.40610853       0.28309453       0.78981967 
           0.59763844       0.43301191       0.86444383 
   
  
  
           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 
   
  
  
          0.21181343       0.54848425       0.70816642 
          0.42198515       0.52441849       0.64653743 
          0.31909101       0.56957103       0.67458005 
          0.43110180       0.46665448       0.46569935 
          0.49769132       0.66821699       0.68077747 
          0.18463551       0.36643181       0.72742705 
          0.14527348       0.62731740       0.57094506 
          0.45527154       0.36749445       0.75172795 
          0.19304612       0.61916112       0.83714888 
          0.50031890       0.44102817       0.43871804 
          0.40897462       0.54831851       0.39874175 
          0.38907082       0.37890046       0.44459755 
          0.48005819       0.75309217       0.61624243 
          0.56773515       0.64081006       0.66296673 
          0.49117106       0.69922510       0.78553932 
          0.11331578       0.35309104       0.75017383 
          0.22315375       0.32103961       0.80937726 
          0.19925512       0.31017856       0.63522162 
          0.15563787       0.57526640       0.47520874 
          0.16432800       0.73265486       0.55744398 
          0.07357603       0.62414634       0.59439020 
          0.54035254       0.34323149       0.72918699 
          0.40610853       0.28309453       0.78981967 
          0.59763844       0.43301191       0.86444383 
  
  
     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 
  
 
 
  
       3.05    3.06
       3.35    3.36
   
          6.01222606 
       1515.54757511 
      -2556.53361888 
        103.71327350 
       1034.52956612 
      -1002.70602097 
         -0.00895368 
       -307.50328050 
       1497.73000548 
        290.78077223 
        290.78972592 
        290.78375679 
   
  
  
       3.92    3.93
       3.93    3.93
   
        -40.26947565 
        -40.26030084 
        -40.26641738 
   
  
  
       3.87    3.88
       3.87    3.88
   
       -127.45887178 
       -127.40343878 
       -127.44039412 
   
  
  
       3.65    3.66
       3.65    3.66
   
       -132.89094634 
       -132.83453490 
       -132.87214252 
   
  
  
       3.33    3.34
       3.38    3.40
   
       -133.05591462 
       -132.99949851 
       -133.03710925 
   
  
  
       3.06    3.08
       3.40    3.41
   
       -119.13539822 
       -119.07897929 
       -119.11659191 
   
  
  
       3.39    3.40
       3.72    3.73
   
       -117.53776384 
       -117.48134596 
       -117.51895788 
   
  
  
       3.43    3.45
       3.78    3.79
   
       -116.97320365 
       -116.91678631 
       -116.95439787 
   
  
  
       3.44    3.46
       3.84    3.86
   
       -116.82645799 
       -116.77004154 
       -116.80765251 
   
  
  
       3.27    3.28
       3.68    3.69
   
       -116.81849485 
       -116.76207843 
       -116.79968938 
   
  
  
       3.12    3.14
       3.69    3.71
   
       -116.81469994 
       -116.75828389 
       -116.79589459 
   
  
  
       2.89    2.90
       3.31    3.32
   
       -116.81647255 
       -116.76005661 
       -116.79766724 
   
  
  
       2.67    2.69
       3.05    3.06
   
       -116.82417166 
       -116.76775582 
       -116.80536638 
   
  
  
       2.66    2.67
       2.99    3.00
   
       -116.82772803 
       -116.77131188 
       -116.80892265 
   
  
  
       2.18    2.20
       2.61    2.64
   
       -116.83094085 
       -116.77452466 
       -116.81213545 
   
  
  
       3.05    3.08
       3.60    3.63
   
       -116.83399253 
       -116.77757635 
       -116.81518713 
   
  
  
       2.85    2.87
       3.45    3.47
   
       -116.83704101 
       -116.78062500 
       -116.81823568 
   
  
  
       3.08    3.10
       3.62    3.64
   
       -116.83783327 
       -116.78141732 
       -116.81902795 
   
  
  
       2.88    2.90
       3.47    3.49
   
       -116.83818590 
       -116.78176996 
       -116.81938059 
   
  
  
       2.47    2.48
       2.93    2.94
   
       -116.83830572 
       -116.78188978 
       -116.81950041 
   
  
  
       2.35    2.38
       2.70    2.74
   
       -116.83837138 
       -116.78195545 
       -116.81956607 
   
  
  
       1.90    1.93
       2.24    2.28
   
       -116.83839457 
       -116.78197865 
       -116.81958927 
   
  
  
       0.99    1.03