vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:34 
 
 
  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 
    
   
   
           0.21600404       0.54807252       0.70940184 
           0.42674754       0.52407927       0.64328252 
           0.32380845       0.56916187       0.67636857 
           0.43453193       0.46274896       0.46675244 
           0.50210695       0.66989792       0.67995908 
           0.18940140       0.36622752       0.72803826 
           0.15035524       0.62789836       0.57147721 
           0.46976652       0.36830181       0.77916084 
           0.19731726       0.61923182       0.83809385 
           0.50380171       0.43661791       0.44230118 
           0.41186932       0.54189696       0.39789303 
           0.39280044       0.37375568       0.45106633 
           0.48491533       0.75314220       0.61270314 
           0.57200580       0.64160420       0.66382653 
           0.49399874       0.70345377       0.78385892 
           0.11844810       0.35289777       0.75278211 
           0.22921843       0.32090513       0.80850360 
           0.20297561       0.31068201       0.63515729 
           0.16165267       0.57677383       0.47545158 
           0.16875920       0.73369089       0.55932702 
           0.07853513       0.62349203       0.59373867 
           0.53746026       0.35773817       0.71003715 
           0.40949627       0.28627163       0.75757918 
           0.49338847       0.42519384       0.87695479 
   
  
  
           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 
   
  
  
          0.21600404       0.54807252       0.70940184 
          0.42674754       0.52407927       0.64328252 
          0.32380845       0.56916187       0.67636857 
          0.43453193       0.46274896       0.46675244 
          0.50210695       0.66989792       0.67995908 
          0.18940140       0.36622752       0.72803826 
          0.15035524       0.62789836       0.57147721 
          0.46976652       0.36830181       0.77916084 
          0.19731726       0.61923182       0.83809385 
          0.50380171       0.43661791       0.44230118 
          0.41186932       0.54189696       0.39789303 
          0.39280044       0.37375568       0.45106633 
          0.48491533       0.75314220       0.61270314 
          0.57200580       0.64160420       0.66382653 
          0.49399874       0.70345377       0.78385892 
          0.11844810       0.35289777       0.75278211 
          0.22921843       0.32090513       0.80850360 
          0.20297561       0.31068201       0.63515729 
          0.16165267       0.57677383       0.47545158 
          0.16875920       0.73369089       0.55932702 
          0.07853513       0.62349203       0.59373867 
          0.53746026       0.35773817       0.71003715 
          0.40949627       0.28627163       0.75757918 
          0.49338847       0.42519384       0.87695479 
  
  
     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 
  
 
 
  
       3.00    3.01
       3.30    3.31
   
          6.01222606 
       1550.50203301 
      -2586.98475359 
        104.20023150 
       1034.52956612 
      -1002.70602097 
         -0.00779477 
       -310.84316563 
       1497.73000548 
        292.43232721 
        292.44012197 
        292.43492546 
   
  
  
       3.95    3.96
       3.95    3.96
   
        -46.25215400 
        -46.23555507 
        -46.24662102 
   
  
  
       3.81    3.82
       3.81    3.82
   
       -130.78540278 
       -130.73093959 
       -130.76724838 
   
  
  
       3.66    3.67
       3.66    3.67
   
       -135.87017010 
       -135.81375922 
       -135.85136647 
   
  
  
       3.32    3.33
       3.36    3.38
   
       -136.02391316 
       -135.96749507 
       -136.00510713 
   
  
  
       3.03    3.04
       3.38    3.39
   
       -122.20193243 
       -122.14551595 
       -122.18312694 
   
  
  
       3.48    3.49
       3.86    3.87
   
       -120.36758042 
       -120.31117690 
       -120.34877925 
   
  
  
       3.60    3.61
       3.99    4.01
   
       -119.80863757 
       -119.75223926 
       -119.78983813 
   
  
  
       3.51    3.52
       3.95    3.96
   
       -119.65457297 
       -119.59818121 
       -119.63577572 
   
  
  
       3.40    3.42
       3.82    3.84
   
       -119.63983663 
       -119.58344594 
       -119.62103973 
   
  
  
       3.08    3.09
       3.61    3.63
   
       -119.62820100 
       -119.57181205 
       -119.60940468 
   
  
  
       3.39    3.40
       3.89    3.90
   
       -119.62897507 
       -119.57258611 
       -119.61017875 
   
  
  
       2.81    2.82
       3.19    3.21
   
       -119.63469108 
       -119.57829995 
       -119.61589404 
   
  
  
       2.96    2.97
       3.57    3.58
   
       -119.63837012 
       -119.58197792 
       -119.61957272 
   
  
  
       2.40    2.42
       3.05    3.07
   
       -119.64444147 
       -119.58805020 
       -119.62564438 
   
  
  
       2.90    2.91
       3.28    3.30
   
       -119.64808330 
       -119.59169351 
       -119.62928670 
   
  
  
       2.93    2.94
       3.33    3.34
   
       -119.65128500 
       -119.59489750 
       -119.63248917 
   
  
  
       3.12    3.13
       3.54    3.55
   
       -119.65211460 
       -119.59572797 
       -119.63331906 
   
  
  
       2.88    2.90
       3.31    3.32
   
       -119.65246189 
       -119.59607563 
       -119.63366647 
   
  
  
       2.76    2.78
       3.26    3.28
   
       -119.65256475 
       -119.59617857 
       -119.63376936 
   
  
  
       2.42    2.43
       2.88    2.89
   
       -119.65262856 
       -119.59624241 
       -119.63383318 
   
  
  
       1.49    1.55
       1.93    1.99
   
       -119.65265056 
       -119.59626438 
       -119.63385517 
   
  
  
       0.61    0.72
       0.94    1.05
   
       -119.65266322 
       -119.59627703 
       -119.63386783 
   
  
  
       0.33    0.34
       0.56    0.58
   
          6.01222606 
       1550.50203301 
      -2799.34629894 
        117.11438832 
       4025.97640443 
      -3995.39152934 
         -0.05638619 
       -522.19350889 
       1497.73000548 
       -119.65266607 
       -119.59627988 
       -119.63387068