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 
    
   
   
           0.20739534       0.54823749       0.70729784 
           0.41723017       0.52269899       0.64456249 
           0.31435312       0.56916731       0.67334142 
           0.42730697       0.47057133       0.46291726 
           0.49343328       0.66532966       0.68254593 
           0.17980847       0.36645750       0.72683447 
           0.14036345       0.62682261       0.57034680 
           0.45152845       0.36030756       0.74880007 
           0.18892777       0.61929584       0.83615361 
           0.49673164       0.44554462       0.43603341 
           0.40581457       0.55482011       0.39940112 
           0.38511649       0.38386104       0.43797767 
           0.47485196       0.75168389       0.62030659 
           0.56337580       0.63941964       0.66205982 
           0.48803942       0.69469782       0.78783933 
           0.10817111       0.35349380       0.74745309 
           0.21709208       0.32125743       0.81012216 
           0.19550340       0.30969936       0.63536380 
           0.14955986       0.57372369       0.47491755 
           0.15983393       0.73180769       0.55545079 
           0.06884106       0.62475041       0.59516813 
           0.53235121       0.32604571       0.73614075 
           0.40243533       0.29057714       0.80996599 
           0.70188842       0.44082998       0.85193288 
   
  
  
           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 
   
  
  
          0.20739534       0.54823749       0.70729784 
          0.41723017       0.52269899       0.64456249 
          0.31435312       0.56916731       0.67334142 
          0.42730697       0.47057133       0.46291726 
          0.49343328       0.66532966       0.68254593 
          0.17980847       0.36645750       0.72683447 
          0.14036345       0.62682261       0.57034680 
          0.45152845       0.36030756       0.74880007 
          0.18892777       0.61929584       0.83615361 
          0.49673164       0.44554462       0.43603341 
          0.40581457       0.55482011       0.39940112 
          0.38511649       0.38386104       0.43797767 
          0.47485196       0.75168389       0.62030659 
          0.56337580       0.63941964       0.66205982 
          0.48803942       0.69469782       0.78783933 
          0.10817111       0.35349380       0.74745309 
          0.21709208       0.32125743       0.81012216 
          0.19550340       0.30969936       0.63536380 
          0.14955986       0.57372369       0.47491755 
          0.15983393       0.73180769       0.55545079 
          0.06884106       0.62475041       0.59516813 
          0.53235121       0.32604571       0.73614075 
          0.40243533       0.29057714       0.80996599 
          0.70188842       0.44082998       0.85193288 
  
  
     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 
  
 
 
  
   
   
   
          6.01222606 
       1475.75269136 
      -2517.24159646 
        103.49962278 
       1034.52956612 
      -1002.70602097 
          0.00140753 
       -309.04349173 
       1497.73000548 
        288.53441017 
        288.53300263 
        288.53394099 
   
  
  
   
   
   
        -38.32623676 
        -38.27771116 
        -38.31006156 
   
  
  
   
   
   
       -127.12555656 
       -127.07121172 
       -127.10744162 
   
  
  
   
   
   
       -132.63662908 
       -132.58692316 
       -132.62006044 
   
  
  
   
   
   
       -132.80428219 
       -132.75490786 
       -132.78782408 
   
  
  
   
   
   
       -119.15211597 
       -119.09569706 
       -119.13330966 
   
  
  
   
   
   
       -117.36941195 
       -117.31299309 
       -117.35060566 
   
  
  
   
   
   
       -116.79523574 
       -116.75546121 
       -116.78197756 
   
  
  
   
   
   
       -116.77155509 
       -116.72570816 
       -116.75627278 
   
  
  
   
   
   
       -116.66002348 
       -116.59984183 
       -116.63996293 
   
  
  
   
   
   
       -116.64533430 
       -116.61085251 
       -116.63384037 
   
  
  
   
   
   
       -116.64990355 
       -116.61881529 
       -116.63954079 
   
  
  
   
   
   
       -116.65337392 
       -116.62242393 
       -116.64305726 
   
  
  
   
   
   
       -116.65636085 
       -116.61943699 
       -116.64405290 
   
  
  
   
   
   
       -116.65878978 
       -116.61979605 
       -116.64579187 
   
  
  
   
   
   
       -116.66322454 
       -116.62297231 
       -116.64980713 
   
  
  
   
   
   
       -116.66627474 
       -116.62607680 
       -116.65287543 
   
  
  
   
   
   
       -116.66848361 
       -116.62947508 
       -116.65548076 
   
  
  
   
   
   
       -116.66897631 
       -116.63007908 
       -116.65601057 
   
  
  
   
   
   
       -116.66918373 
       -116.63020647 
       -116.65619131 
   
  
  
   
   
   
       -116.66925226 
       -116.63011494 
       -116.65620649