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 
    
   
   
           0.21033124       0.54840819       0.70790464 
           0.42025171       0.52500493       0.64603170 
           0.31740744       0.56969019       0.67409775 
           0.42992885       0.46776583       0.46510974 
           0.49634712       0.66746008       0.68134984 
           0.18310097       0.36648898       0.72723110 
           0.14371542       0.62716425       0.57077361 
           0.45309513       0.36375243       0.74830601 
           0.19174025       0.61919815       0.83683670 
           0.49927465       0.44240804       0.43781392 
           0.40800019       0.55029452       0.39932527 
           0.38775955       0.38033727       0.44241323 
           0.47845580       0.75280089       0.61754099 
           0.56632383       0.64037994       0.66269764 
           0.49017691       0.69778525       0.78616138 
           0.11167016       0.35320968       0.74931025 
           0.22121116       0.32109995       0.80960542 
           0.19805392       0.31002884       0.63527051 
           0.15369372       0.57478324       0.47513378 
           0.16289182       0.73238712       0.55681060 
           0.07205707       0.62434179       0.59462813 
           0.53802703       0.33698563       0.73307609 
           0.40448246       0.28499929       0.79593032 
           0.63238843       0.43561794       0.86027351 
   
  
  
           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 
   
  
  
          0.21033124       0.54840819       0.70790464 
          0.42025171       0.52500493       0.64603170 
          0.31740744       0.56969019       0.67409775 
          0.42992885       0.46776583       0.46510974 
          0.49634712       0.66746008       0.68134984 
          0.18310097       0.36648898       0.72723110 
          0.14371542       0.62716425       0.57077361 
          0.45309513       0.36375243       0.74830601 
          0.19174025       0.61919815       0.83683670 
          0.49927465       0.44240804       0.43781392 
          0.40800019       0.55029452       0.39932527 
          0.38775955       0.38033727       0.44241323 
          0.47845580       0.75280089       0.61754099 
          0.56632383       0.64037994       0.66269764 
          0.49017691       0.69778525       0.78616138 
          0.11167016       0.35320968       0.74931025 
          0.22121116       0.32109995       0.80960542 
          0.19805392       0.31002884       0.63527051 
          0.15369372       0.57478324       0.47513378 
          0.16289182       0.73238712       0.55681060 
          0.07205707       0.62434179       0.59462813 
          0.53802703       0.33698563       0.73307609 
          0.40448246       0.28499929       0.79593032 
          0.63238843       0.43561794       0.86027351 
  
  
     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 
  
 
 
  
       2.64    2.67
       3.47    3.50
   
          6.01222606 
       1501.72458205 
      -2542.76623535 
        103.61638118 
       1034.52956612 
      -1002.70602097 
         -0.00365048 
       -308.09514336 
       1497.73000548 
        290.04171073 
        290.04536121 
        290.04292756 
   
  
  
       3.90    3.91
       3.90    3.91
   
        -38.42704064 
        -38.40517899 
        -38.41975343 
   
  
  
       3.77    3.78
       3.77    3.78
   
       -127.04970401 
       -126.99350922 
       -127.03097241 
   
  
  
       3.58    3.59
       3.58    3.59
   
       -132.65486276 
       -132.59844608 
       -132.63605720 
   
  
  
       3.93    3.94
       4.04    4.05
   
       -132.82437282 
       -132.76795507 
       -132.80556690 
   
  
  
       3.19    3.20
       4.02    4.03
   
       -119.02257483 
       -118.96615589 
       -119.00376852 
   
  
  
       3.46    3.47
       3.93    3.94
   
       -117.37860725 
       -117.32219254 
       -117.35980235 
   
  
  
       3.35    3.36
       3.77    3.78
   
       -116.83120991 
       -116.77479174 
       -116.81240386 
   
  
  
       3.36    3.37
       3.74    3.75
   
       -116.68924137 
       -116.63285155 
       -116.67044476 
   
  
  
       3.13    3.14
       3.51    3.52
   
       -116.68336578 
       -116.62695502 
       -116.66456219 
   
  
  
       3.04    3.05
       3.44    3.46
   
       -116.67983647 
       -116.62343773 
       -116.66103689 
   
  
  
       2.67    2.68
       3.06    3.08
   
       -116.68230067 
       -116.62590679 
       -116.66350271 
   
  
  
       2.75    2.77
       3.17    3.19
   
       -116.69122172 
       -116.63482750 
       -116.67242365 
   
  
  
       3.02    3.04
       3.50    3.52
   
       -116.69413053 
       -116.63773487 
       -116.67533197 
   
  
  
       2.71    2.72
       3.20    3.22
   
       -116.69741582 
       -116.64102159 
       -116.67861774 
   
  
  
       3.26    3.27
       4.23    4.24
   
       -116.70009710 
       -116.64370121 
       -116.68129847 
   
  
  
       2.93    2.95
       3.57    3.58
   
       -116.70297249 
       -116.64657785 
       -116.68417428 
   
  
  
       3.05    3.07
       3.61    3.63
   
       -116.70389988 
       -116.64750482 
       -116.68510153 
   
  
  
       3.06    3.08
       3.67    3.68
   
       -116.70421495 
       -116.64781971 
       -116.68541654 
   
  
  
       2.53    2.55
       3.12    3.14
   
       -116.70432963 
       -116.64793462 
       -116.68553129 
   
  
  
       2.51    2.52
       2.98    3.00
   
       -116.70438169 
       -116.64798666 
       -116.68558335 
   
  
  
       1.59    1.78
       2.09    2.28
   
       -116.70440723 
       -116.64801213 
       -116.68560886