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 
    
   
   
           0.21301982       0.54841345       0.70859962 
           0.42389964       0.52104170       0.64495949 
           0.32087956       0.56895059       0.67536803 
           0.43192750       0.46611430       0.46533524 
           0.49903774       0.66870246       0.68074336 
           0.18599067       0.36631969       0.72759215 
           0.14669826       0.62750523       0.57102017 
           0.46192071       0.37363050       0.76521548 
           0.19421940       0.61919721       0.83743140 
           0.50110926       0.43991116       0.43973976 
           0.40973785       0.54666376       0.39747607 
           0.39024188       0.37776112       0.44655103 
           0.48122445       0.75290785       0.61512810 
           0.56895377       0.64088711       0.66321443 
           0.49200909       0.70051128       0.78530830 
           0.11477887       0.35306795       0.75089929 
           0.22488273       0.32102671       0.80915348 
           0.20031692       0.31032043       0.63517101 
           0.15735742       0.57567253       0.47525059 
           0.16559487       0.73296371       0.55797546 
           0.07499342       0.62395073       0.59423721 
           0.54110446       0.34965534       0.71986323 
           0.40758004       0.28428038       0.78368048 
           0.56288845       0.43040589       0.86861415 
   
  
  
           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 
   
  
  
          0.21301982       0.54841345       0.70859962 
          0.42389964       0.52104170       0.64495949 
          0.32087956       0.56895059       0.67536803 
          0.43192750       0.46611430       0.46533524 
          0.49903774       0.66870246       0.68074336 
          0.18599067       0.36631969       0.72759215 
          0.14669826       0.62750523       0.57102017 
          0.46192071       0.37363050       0.76521548 
          0.19421940       0.61919721       0.83743140 
          0.50110926       0.43991116       0.43973976 
          0.40973785       0.54666376       0.39747607 
          0.39024188       0.37776112       0.44655103 
          0.48122445       0.75290785       0.61512810 
          0.56895377       0.64088711       0.66321443 
          0.49200909       0.70051128       0.78530830 
          0.11477887       0.35306795       0.75089929 
          0.22488273       0.32102671       0.80915348 
          0.20031692       0.31032043       0.63517101 
          0.15735742       0.57567253       0.47525059 
          0.16559487       0.73296371       0.55797546 
          0.07499342       0.62395073       0.59423721 
          0.54110446       0.34965534       0.71986323 
          0.40758004       0.28428038       0.78368048 
          0.56288845       0.43040589       0.86861415 
  
  
     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 
  
 
 
  
       2.91    2.92
       3.24    3.26
   
          6.01222606 
       1522.55345806 
      -2564.36139501 
        103.80509166 
       1034.52956612 
      -1002.70602097 
         -0.02466405 
       -307.02052747 
       1497.73000548 
        290.51773987 
        290.54240392 
        290.52596122 
   
  
  
       3.99    4.00
       3.99    4.00
   
        -43.46862829 
        -43.48084448 
        -43.47270035 
   
  
  
       3.82    3.83
       3.82    3.83
   
       -128.25044035 
       -128.19549224 
       -128.23212431 
   
  
  
       3.65    3.66
       3.65    3.66
   
       -133.40079131 
       -133.34438124 
       -133.38198795 
   
  
  
       3.43    3.44
       3.52    3.54
   
       -133.55957442 
       -133.50315727 
       -133.54076871 
   
  
  
       3.28    3.29
       3.69    3.70
   
       -119.54259452 
       -119.48670030 
       -119.52396311 
   
  
  
       3.50    3.51
       3.99    4.00
   
       -117.99906632 
       -117.95961789 
       -117.98591685 
   
  
  
       3.51    3.52
       3.94    3.96
   
       -117.52835560 
       -117.47287541 
       -117.50986220 
   
  
  
       3.35    3.36
       3.74    3.75
   
       -117.31591546 
       -117.28301505 
       -117.30494866 
   
  
  
       3.04    3.05
       3.37    3.38
   
       -117.27381477 
       -117.24045859 
       -117.26269605 
   
  
  
       3.05    3.07
       3.41    3.43
   
       -117.26562918 
       -117.23437399 
       -117.25521078 
   
  
  
       2.76    2.78
       3.13    3.15
   
       -117.26254063 
       -117.22996064 
       -117.25168064 
   
  
  
       2.97    2.99
       3.37    3.38
   
       -117.26353424 
       -117.23238625 
       -117.25315158 
   
  
  
       2.54    2.56
       2.91    2.93
   
       -117.26775376 
       -117.23660377 
       -117.25737043 
   
  
  
       2.57    2.59
       3.04    3.06
   
       -117.27249137 
       -117.24153942 
       -117.26217405 
   
  
  
       3.11    3.12
       4.03    4.04
   
       -117.27501727 
       -117.24406080 
       -117.26469845 
   
  
  
       2.71    2.72
       3.23    3.24
   
       -117.27927302 
       -117.24832519 
       -117.26895708 
   
  
  
       2.89    2.91
       3.26    3.28
   
       -117.28149145 
       -117.25051784 
       -117.27116692 
   
  
  
       2.70    2.71
       3.15    3.16
   
       -117.28261074 
       -117.25164548 
       -117.27228898 
   
  
  
       2.81    2.83
       3.26    3.28
   
       -117.28332155 
       -117.25235859 
       -117.27300056 
   
  
  
       2.68    2.71
       3.08    3.11
   
       -117.28351476 
       -117.25255033 
       -117.27319328 
   
  
  
       2.17    2.22
       2.65    2.71
   
       -117.28360623 
       -117.25264392 
       -117.27328546 
   
  
  
       1.05    1.07
       1.40    1.43
   
       -117.28365307 
       -117.25269174 
       -117.27333262