vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:22 
 
 
  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      0.82000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.20000000       0.00000000       0.00000000 
            0.00000000      11.20000000       0.00000000 
            0.00000000       0.00000000      32.40000000 
    
       4064.25600000 
    
            0.08928571       0.00000000       0.00000000 
            0.00000000       0.08928571       0.00000000 
            0.00000000       0.00000000       0.03086420 
    
   
   
           0.12396418       0.11917515       0.51886861 
           0.37740212       0.12062760       0.26005433 
           0.12085738       0.37293514       0.57050019 
           0.31432794       0.37185393       0.21734752 
           0.36518114       0.37406861       0.62253763 
           0.12810912       0.12182507       0.31267552 
           0.37649916       0.12784140       0.47019611 
           0.12386647       0.37436905       0.36389457 
           0.37157148       0.37599282       0.41701185 
           0.12363056       0.62684094       0.51986248 
           0.37432064       0.62242138       0.26009618 
           0.12035625       0.87399720       0.57258191 
           0.31088137       0.87081186       0.21792480 
           0.37402267       0.87429605       0.62343274 
           0.12397356       0.62386706       0.31188727 
           0.37346341       0.62637700       0.46857933 
           0.12399292       0.87382068       0.36583172 
           0.37715233       0.87705257       0.41714321 
           0.62650756       0.13134806       0.52454317 
           0.87671895       0.12265056       0.26167084 
           0.59925383       0.37671268       0.57578417 
           0.81067648       0.36931015       0.21769637 
           0.62591281       0.12357880       0.31268814 
           0.87268964       0.12597502       0.46894346 
           0.62152421       0.37382267       0.36471972 
           0.87394329       0.37443137       0.41568549 
           0.62405885       0.61747435       0.52175048 
           0.87184513       0.62296884       0.26075001 
           0.62478541       0.87024033       0.57254137 
           0.80927302       0.87246895       0.21913601 
           0.87127955       0.88270933       0.62659520 
           0.62284009       0.62288181       0.31256184 
           0.87356489       0.62266877       0.46845392 
           0.62399833       0.87329336       0.36394410 
           0.87267405       0.87439343       0.41685890 
           0.12374051       0.99929754       0.54738871 
           0.37230024       0.24453948       0.23312342 
           0.38493723       0.23740152       0.64546761 
           0.13150560       0.24680347       0.54388249 
           0.37943819       0.49610671       0.23357960 
           0.38382891       0.51023761       0.64559764 
           0.45658274       0.37290019       0.58402864 
           0.17496031       0.38663432       0.23282441 
           0.22840753       0.37247084       0.60532883 
           0.25521594       0.11765020       0.28752302 
           0.00684564       0.12259121       0.28429684 
           0.12237718       0.99732528       0.33851383 
           0.37137374       0.25011391       0.44264886 
           0.12739847       0.24649039       0.33855060 
           0.37106462       0.50023678       0.44325792 
           0.49873620       0.37491848       0.39186172 
           0.24835850       0.37744588       0.39034022 
           0.24667405       0.11829750       0.49262508 
           0.99725843       0.12277340       0.49416151 
           0.13508143       0.49694818       0.54336175 
           0.37468168       0.74562602       0.23239692 
           0.38638712       0.73598862       0.64557708 
           0.12216487       0.74866292       0.54780861 
           0.37929857       0.99593936       0.23248549 
           0.38584243       0.01376189       0.64513356 
           0.49759826       0.87504672       0.59707751 
           0.17489664       0.86336367       0.23699143 
           0.24205252       0.87416909       0.60163453 
           0.25095323       0.62396893       0.28657346 
           0.99999648       0.62231959       0.28509329 
           0.12295031       0.49854396       0.33745122 
           0.38183407       0.74998029       0.44149147 
           0.12587932       0.74645432       0.34029456 
           0.39439491       0.00006039       0.44480355 
           0.49677791       0.87401287       0.38838876 
           0.24659475       0.88485538       0.39368066 
           0.24614626       0.63603422       0.49256655 
           0.99573207       0.62213083       0.49550852 
           0.62953441       0.99268355       0.54496611 
           0.87760361       0.24827780       0.23509003 
           0.63790069       0.24842248       0.55516906 
           0.86449589       0.49973455       0.23270469 
           0.87981751       0.41274554       0.65668908 
           0.99467412       0.36894624       0.59639632 
           0.67062749       0.35198853       0.23206945 
           0.65940360       0.38481454       0.62280486 
           0.75645302       0.12202409       0.28963152 
           0.50574807       0.12107377       0.28390159 
           0.62323426       0.99953270       0.33880502 
           0.87433678       0.24937007       0.44194375 
           0.61934433       0.24749143       0.33892988 
           0.87535985       0.50016014       0.44124450 
           0.99750809       0.37316324       0.38909624 
           0.74762584       0.37363147       0.39001002 
           0.74714817       0.13280975       0.49539751 
           0.49603576       0.14298104       0.50033281 
           0.63107937       0.49390256       0.54856351 
           0.87173643       0.74795911       0.23405319 
           0.89152748       0.77257422       0.65892751 
           0.62705213       0.74417594       0.54781527 
           0.87618106       0.99893796       0.23367695 
           0.86158463       0.00531957       0.65434451 
           0.99300504       0.87617546       0.59860684 
           0.67242687       0.86526823       0.23742393 
           0.74716324       0.86854184       0.60030319 
           0.75124724       0.62206933       0.28867957 
           0.50040077       0.62326287       0.28510847 
           0.61888703       0.49816383       0.33863605 
           0.87456258       0.74972937       0.44312198 
           0.62259081       0.74659426       0.33899108 
           0.86661825       0.99952075       0.44316307 
           0.99822562       0.87689910       0.39119156 
           0.74854873       0.87252639       0.39035915 
           0.74556337       0.62012803       0.49304114 
           0.49680064       0.62184362       0.49627665 
           0.33156373       0.36290366       0.16688435 
           0.31314867       0.87037698       0.16695757 
           0.83163387       0.36179980       0.16725499 
           0.81634564       0.87030621       0.16812413 
           0.99110734       0.56600649       0.61952292 
           0.95723116       0.44616870       0.62274250 
           0.11786006       0.32349512       0.22705117 
           0.11461360       0.92041612       0.22836457 
           0.61372410       0.41690193       0.22757341 
           0.61395485       0.92674893       0.23046528 
           0.31653014       0.43540773       0.15136485 
           0.34340850       0.94210148       0.15388977 
           0.84540750       0.43744539       0.15363337 
           0.83303445       0.94554178       0.15450307 
           0.24787270       0.12527739       0.62351267 
           0.27703519       0.62435092       0.68002315 
           0.24697757       0.62460237       0.62460209 
           0.27496163       0.12509672       0.67913585 
           0.85823925       0.47904896       0.67140013 
           0.83080724       0.77614716       0.68366964 
           0.83319022       0.08174855       0.63454420 
           0.95452653       0.61794722       0.64394150 
           0.72692991       0.40894351       0.63560080 
           0.31613383       0.62285401       0.64888207 
           0.31577152       0.12660846       0.64807074 
   
  
  
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         135 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         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       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      392
       -1
       -1
       648.00000000
        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      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      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      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
      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      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
           0.00000001
           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
   
  
  
       56
       56
      160
      112
      112
      320
    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      0.82000000      0.32000000      0.77000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     10.81100000      1.00000000     12.01100000
         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
        18.06336000
         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  
  
 
 
       135 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    B    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      17H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          11.20000000       0.00000000       0.00000000 
           0.00000000      11.20000000       0.00000000 
           0.00000000       0.00000000      32.40000000 
   
      4064.25600000 
   
           0.08928571       0.00000000       0.00000000 
           0.00000000       0.08928571       0.00000000 
           0.00000000       0.00000000       0.03086420 
   
  
  
          0.12396418       0.11917515       0.51886861 
          0.37740212       0.12062760       0.26005433 
          0.12085738       0.37293514       0.57050019 
          0.31432794       0.37185393       0.21734752 
          0.36518114       0.37406861       0.62253763 
          0.12810912       0.12182507       0.31267552 
          0.37649916       0.12784140       0.47019611 
          0.12386647       0.37436905       0.36389457 
          0.37157148       0.37599282       0.41701185 
          0.12363056       0.62684094       0.51986248 
          0.37432064       0.62242138       0.26009618 
          0.12035625       0.87399720       0.57258191 
          0.31088137       0.87081186       0.21792480 
          0.37402267       0.87429605       0.62343274 
          0.12397356       0.62386706       0.31188727 
          0.37346341       0.62637700       0.46857933 
          0.12399292       0.87382068       0.36583172 
          0.37715233       0.87705257       0.41714321 
          0.62650756       0.13134806       0.52454317 
          0.87671895       0.12265056       0.26167084 
          0.59925383       0.37671268       0.57578417 
          0.81067648       0.36931015       0.21769637 
          0.62591281       0.12357880       0.31268814 
          0.87268964       0.12597502       0.46894346 
          0.62152421       0.37382267       0.36471972 
          0.87394329       0.37443137       0.41568549 
          0.62405885       0.61747435       0.52175048 
          0.87184513       0.62296884       0.26075001 
          0.62478541       0.87024033       0.57254137 
          0.80927302       0.87246895       0.21913601 
          0.87127955       0.88270933       0.62659520 
          0.62284009       0.62288181       0.31256184 
          0.87356489       0.62266877       0.46845392 
          0.62399833       0.87329336       0.36394410 
          0.87267405       0.87439343       0.41685890 
          0.12374051       0.99929754       0.54738871 
          0.37230024       0.24453948       0.23312342 
          0.38493723       0.23740152       0.64546761 
          0.13150560       0.24680347       0.54388249 
          0.37943819       0.49610671       0.23357960 
          0.38382891       0.51023761       0.64559764 
          0.45658274       0.37290019       0.58402864 
          0.17496031       0.38663432       0.23282441 
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          0.72692991       0.40894351       0.63560080 
          0.31613383       0.62285401       0.64888207 
          0.31577152       0.12660846       0.64807074 
  
 
 
  
   
   
   
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