vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:33 
 
 
  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 
    
   
   
           0.21391696       0.54806842       0.70906054 
           0.42489494       0.52279972       0.64255751 
           0.32231706       0.56822586       0.67593573 
           0.43276867       0.46453564       0.46554829 
           0.50042084       0.66893830       0.68092848 
           0.18725127       0.36624513       0.72776535 
           0.14813115       0.62768165       0.57116860 
           0.47483036       0.37445295       0.78691953 
           0.19541959       0.61929048       0.83767810 
           0.50201824       0.43871373       0.44105248 
           0.41037312       0.54499761       0.39771274 
           0.39107155       0.37607885       0.44804642 
           0.48234801       0.75245999       0.61417038 
           0.57007824       0.64086688       0.66349677 
           0.49265571       0.70140797       0.78508787 
           0.11613029       0.35307318       0.75155156 
           0.22646610       0.32099958       0.80892285 
           0.20127548       0.31044665       0.63514536 
           0.15891143       0.57605335       0.47528160 
           0.16673138       0.73331422       0.55842455 
           0.07638080       0.62375588       0.59411611 
           0.53766022       0.35038343       0.70604167 
           0.40813133       0.28896356       0.77248707 
           0.52813846       0.42779987       0.87278447 
   
  
  
           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 
   
  
  
          0.21391696       0.54806842       0.70906054 
          0.42489494       0.52279972       0.64255751 
          0.32231706       0.56822586       0.67593573 
          0.43276867       0.46453564       0.46554829 
          0.50042084       0.66893830       0.68092848 
          0.18725127       0.36624513       0.72776535 
          0.14813115       0.62768165       0.57116860 
          0.47483036       0.37445295       0.78691953 
          0.19541959       0.61929048       0.83767810 
          0.50201824       0.43871373       0.44105248 
          0.41037312       0.54499761       0.39771274 
          0.39107155       0.37607885       0.44804642 
          0.48234801       0.75245999       0.61417038 
          0.57007824       0.64086688       0.66349677 
          0.49265571       0.70140797       0.78508787 
          0.11613029       0.35307318       0.75155156 
          0.22646610       0.32099958       0.80892285 
          0.20127548       0.31044665       0.63514536 
          0.15891143       0.57605335       0.47528160 
          0.16673138       0.73331422       0.55842455 
          0.07638080       0.62375588       0.59411611 
          0.53766022       0.35038343       0.70604167 
          0.40813133       0.28896356       0.77248707 
          0.52813846       0.42779987       0.87278447 
  
  
     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 
  
 
 
  
       2.79    2.80
       3.21    3.22
   
          6.01222606 
       1524.03937909 
      -2564.48573643 
        103.95804709 
       1034.52956612 
      -1002.70602097 
         -0.01086306 
       -308.54183446 
       1497.73000548 
        290.52476892 
        290.53563198 
        290.52838994 
   
  
  
       4.02    4.03
       4.02    4.03
   
        -48.38335266 
        -48.35630701 
        -48.37433744 
   
  
  
       3.82    3.83
       3.82    3.83
   
       -129.98998259 
       -129.93829512 
       -129.97275343 
   
  
  
       3.64    3.65
       3.64    3.65
   
       -134.84354962 
       -134.78714529 
       -134.82474817 
   
  
  
       3.65    3.67
       3.73    3.75
   
       -134.99111164 
       -134.93469402 
       -134.97230577 
   
  
  
       3.33    3.34
       3.95    3.96
   
       -121.50688628 
       -121.45047140 
       -121.48808132 
   
  
  
       3.58    3.60
       4.17    4.18
   
       -119.80195517 
       -119.74555534 
       -119.78315523 
   
  
  
       3.58    3.60
       4.01    4.02
   
       -119.26515214 
       -119.20875956 
       -119.24635461 
   
  
  
       3.50    3.51
       3.96    3.97
   
       -119.10916624 
       -119.05278244 
       -119.09037164 
   
  
  
       3.40    3.41
       3.81    3.82
   
       -119.09711379 
       -119.04073134 
       -119.07831964 
   
  
  
       2.93    2.95
       3.46    3.47
   
       -119.08670522 
       -119.03032504 
       -119.06791183 
   
  
  
       3.47    3.49
       3.90    3.91
   
       -119.08725795 
       -119.03087756 
       -119.06846449 
   
  
  
       2.85    2.86
       3.32    3.33
   
       -119.09319253 
       -119.03680978 
       -119.07439828 
   
  
  
       3.01    3.02
       3.56    3.58
   
       -119.09724239 
       -119.04085774 
       -119.07844750 
   
  
  
       2.36    2.38
       2.88    2.90
   
       -119.10321346 
       -119.04682977 
       -119.08441889 
   
  
  
       2.92    2.94
       3.29    3.31
   
       -119.10687801 
       -119.05049643 
       -119.08808415 
   
  
  
       2.93    2.94
       3.33    3.35
   
       -119.10987784 
       -119.05349922 
       -119.09108497 
   
  
  
       3.18    3.19
       3.54    3.56
   
       -119.11043302 
       -119.05405517 
       -119.09164040 
   
  
  
       2.97    3.00
       3.47    3.50
   
       -119.11077294 
       -119.05439560 
       -119.09198050 
   
  
  
       2.75    2.77
       3.29    3.30
   
       -119.11086479 
       -119.05448755 
       -119.09207237 
   
  
  
       2.38    2.39
       2.86    2.87
   
       -119.11092772 
       -119.05455050 
       -119.09213531 
   
  
  
       1.54    1.57
       1.96    1.99
   
       -119.11094746 
       -119.05457024 
       -119.09215505 
   
  
  
       0.60    0.69
       0.92    1.01
   
       -119.11095964 
       -119.05458240 
       -119.09216722