vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:31 
 
 
  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 
    
   
   
           0.20446359       0.54810746       0.70660245 
           0.41437225       0.51919194       0.64348937 
           0.31132446       0.56836564       0.67264214 
           0.42469571       0.47343996       0.46072873 
           0.49046469       0.66299895       0.68375214 
           0.17644119       0.36642255       0.72642953 
           0.13696156       0.62646109       0.56993368 
           0.45016064       0.35769471       0.75053386 
           0.18605834       0.61939634       0.83545533 
           0.49407365       0.44875768       0.43422521 
           0.40360372       0.55939340       0.39941261 
           0.38247951       0.38762053       0.43352984 
           0.47110491       0.75029200       0.62312145 
           0.56039287       0.63845357       0.66145431 
           0.48589904       0.69152297       0.78960432 
           0.10460841       0.35378184       0.74555649 
           0.21288478       0.32144335       0.81064692 
           0.19288011       0.30937679       0.63547299 
           0.14533841       0.57265603       0.47471629 
           0.15670496       0.73120341       0.55406438 
           0.06558440       0.62517254       0.59572286 
           0.52629100       0.31643956       0.73845657 
           0.40110152       0.29660015       0.82371093 
           0.77138840       0.44604203       0.84359224 
   
  
  
           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 
   
  
  
          0.20446359       0.54810746       0.70660245 
          0.41437225       0.51919194       0.64348937 
          0.31132446       0.56836564       0.67264214 
          0.42469571       0.47343996       0.46072873 
          0.49046469       0.66299895       0.68375214 
          0.17644119       0.36642255       0.72642953 
          0.13696156       0.62646109       0.56993368 
          0.45016064       0.35769471       0.75053386 
          0.18605834       0.61939634       0.83545533 
          0.49407365       0.44875768       0.43422521 
          0.40360372       0.55939340       0.39941261 
          0.38247951       0.38762053       0.43352984 
          0.47110491       0.75029200       0.62312145 
          0.56039287       0.63845357       0.66145431 
          0.48589904       0.69152297       0.78960432 
          0.10460841       0.35378184       0.74555649 
          0.21288478       0.32144335       0.81064692 
          0.19288011       0.30937679       0.63547299 
          0.14533841       0.57265603       0.47471629 
          0.15670496       0.73120341       0.55406438 
          0.06558440       0.62517254       0.59572286 
          0.52629100       0.31643956       0.73845657 
          0.40110152       0.29660015       0.82371093 
          0.77138840       0.44604203       0.84359224 
  
  
     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 
  
 
 
  
       2.34    2.42
       3.15    3.23
   
          6.01222606 
       1458.03247217 
      -2500.00879537 
        103.44558277 
       1034.52956612 
      -1002.70602097 
          0.00598591 
       -309.25848351 
       1497.73000548 
        287.78253865 
        287.77655274 
        287.78054335 
   
  
  
       3.88    3.89
       3.88    3.89
   
        -38.43339068 
        -38.38507438 
        -38.41728525 
   
  
  
       3.82    3.82
       3.82    3.82
   
       -127.17679050 
       -127.12732401 
       -127.16030167 
   
  
  
       3.67    3.68
       3.67    3.68
   
       -132.69713504 
       -132.65941741 
       -132.68456249 
   
  
  
       4.02    4.03
       4.10    4.11
   
       -132.86343019 
       -132.82633157 
       -132.85106398 
   
  
  
       3.09    3.10
       3.79    3.80
   
       -119.25903592 
       -119.20261703 
       -119.24022962 
   
  
  
       3.40    3.41
       3.80    3.81
   
       -117.44289724 
       -117.38647835 
       -117.42409095 
   
  
  
       3.33    3.34
       3.70    3.71
   
       -116.85011743 
       -116.79431832 
       -116.83151773 
   
  
  
       3.48    3.49
       3.85    3.86
   
       -116.69631933 
       -116.62420832 
       -116.67228232 
   
  
  
       3.24    3.25
       3.65    3.66
   
       -116.69749317 
       -116.66638771 
       -116.68712468 
   
  
  
       2.82    2.83
       3.21    3.22
   
       -116.68270642 
       -116.64597683 
       -116.67046322 
   
  
  
       3.02    3.04
       3.38    3.40
   
       -116.68216328 
       -116.61377714 
       -116.65936790 
   
  
  
       2.79    2.80
       3.21    3.23
   
       -116.68646026 
       -116.65018169 
       -116.67436740 
   
  
  
       2.79    2.80
       3.22    3.23
   
       -116.68882239 
       -116.64429068 
       -116.67397849 
   
  
  
       3.02    3.04
       3.59    3.61
   
       -116.69343489 
       -116.63550186 
       -116.67412388 
   
  
  
       3.02    3.03
       3.96    3.98
   
       -116.69707240 
       -116.63868097 
       -116.67760859 
   
  
  
       2.82    2.83
       3.21    3.23
   
       -116.69832674 
       -116.64638011 
       -116.68101119 
   
  
  
       3.08    3.10
       3.52    3.53
   
       -116.69976727 
       -116.64794293 
       -116.68249249 
   
  
  
       2.64    2.66
       3.12    3.13
   
       -116.70112037 
       -116.64916023 
       -116.68380032 
   
  
  
       2.67    2.68
       3.15    3.16
   
       -116.70156411 
       -116.64878677 
       -116.68397166 
   
  
  
       2.92    2.94
       3.36    3.37
   
       -116.70170633 
       -116.64940972 
       -116.68427412