vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:23 
 
 
  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 
    
   
   
           0.13002582       0.11378410       0.52021790 
           0.37931387       0.12230284       0.25977323 
           0.11198196       0.35990643       0.56932306 
           0.31614458       0.37448409       0.21659521 
           0.35447510       0.37237854       0.62095093 
           0.12956759       0.12096224       0.31341732 
           0.37611433       0.12439147       0.46819389 
           0.12334148       0.37624482       0.36243707 
           0.36994334       0.37347326       0.41608013 
           0.12095964       0.61372504       0.52265516 
           0.37635376       0.62417867       0.26001633 
           0.11972167       0.86798555       0.57452558 
           0.31244873       0.87340318       0.21760859 
           0.37918289       0.87256128       0.62185012 
           0.12636694       0.62951893       0.31281098 
           0.36899479       0.62195441       0.46908943 
           0.12571776       0.87593246       0.36763665 
           0.38107084       0.87230243       0.41751082 
           0.62116629       0.13270216       0.52499209 
           0.87771692       0.12637010       0.26155883 
           0.58247167       0.37695186       0.57157800 
           0.80972704       0.37441872       0.21659313 
           0.62684989       0.12527544       0.31376111 
           0.87395325       0.13026848       0.47174096 
           0.62192533       0.37370727       0.36528005 
           0.87386343       0.37460787       0.41519561 
           0.61983544       0.62277741       0.52179497 
           0.87603133       0.62530055       0.26045006 
           0.62280534       0.87441339       0.57064487 
           0.81097305       0.87704546       0.21914506 
           0.86717759       0.88706949       0.62946108 
           0.62723448       0.62048244       0.31246811 
           0.87115614       0.62241669       0.46959765 
           0.62763274       0.87059680       0.36229216 
           0.87240169       0.87777889       0.41815347 
           0.11945363       0.99149566       0.54951090 
           0.37491822       0.24730405       0.23278342 
           0.38950671       0.23375396       0.64073499 
           0.15787723       0.23721908       0.54293747 
           0.38145776       0.49936494       0.23228842 
           0.39132534       0.51281685       0.63954931 
           0.44200460       0.36949281       0.57926298 
           0.17810147       0.38901402       0.23293649 
           0.22250387       0.37424275       0.60669410 
           0.25505930       0.11800932       0.28741269 
           0.00940153       0.12243983       0.28466181 
           0.12805561       0.99973521       0.34063154 
           0.35593321       0.24814937       0.44147360 
           0.12586413       0.24860144       0.33726054 
           0.36761913       0.50059748       0.44168753 
           0.50089012       0.36977182       0.39257810 
           0.24746264       0.37825625       0.38763221 
           0.24834349       0.09327979       0.49071005 
           0.99803118       0.12120222       0.49505882 
           0.12742544       0.49188654       0.54543276 
           0.37731401       0.74945387       0.23274185 
           0.39047747       0.73250081       0.64372261 
           0.12191768       0.74099197       0.54877929 
           0.38286627       0.99813870       0.23181059 
           0.38563847       0.01257797       0.64354999 
           0.50736117       0.87454034       0.59858053 
           0.17737418       0.86636375       0.23706701 
           0.24706832       0.86877098       0.60176145 
           0.25242083       0.62628621       0.28737920 
           0.00460702       0.62334658       0.28491507 
           0.12379064       0.50290055       0.33761986 
           0.37550512       0.75139400       0.44534047 
           0.12560764       0.75147531       0.34098789 
           0.41521476       0.99780733       0.44216388 
           0.49827129       0.85138995       0.38626263 
           0.24373681       0.88219330       0.39662185 
           0.24207908       0.62391976       0.49389865 
           0.99176555       0.62431269       0.49615904 
           0.61679808       0.99202524       0.54110411 
           0.87588207       0.25229335       0.23454397 
           0.62763093       0.24694495       0.55668381 
           0.86721698       0.50353166       0.23143621 
           0.93428816       0.36746851       0.66543727 
           0.97561494       0.34260270       0.59479700 
           0.66974200       0.35680617       0.23035830 
           0.64059948       0.40432933       0.62402862 
           0.75823933       0.12278999       0.29055131 
           0.50813794       0.12286212       0.28365102 
           0.61968236       0.00169123       0.34002401 
           0.87839697       0.25053845       0.44281590 
           0.62182154       0.24928394       0.33890702 
           0.87628141       0.50275072       0.44127154 
           0.99828671       0.37464090       0.38833479 
           0.74671313       0.37324758       0.39110466 
           0.74864925       0.14585455       0.49985919 
           0.49969219       0.15395403       0.49829163 
           0.62040078       0.49906475       0.54778811 
           0.87513784       0.75372823       0.23523323 
           0.87864715       0.77967365       0.65969897 
           0.62715714       0.74352351       0.54705930 
           0.87799712       0.00340957       0.23330513 
           0.85668278       0.01484004       0.65982113 
           0.99222554       0.86733787       0.60063928 
           0.67499625       0.86998336       0.23758897 
           0.75336059       0.88343414       0.59462472 
           0.75439203       0.61656028       0.28775507 
           0.50403436       0.62110396       0.28466333 
           0.61972998       0.49827067       0.33961316 
           0.86908535       0.75151271       0.44503952 
           0.63608262       0.74946002       0.33526945 
           0.85891151       0.99940300       0.44667890 
           0.00292982       0.88207997       0.39514467 
           0.75201688       0.87545176       0.38968417 
           0.74167113       0.61335244       0.49462223 
           0.49914487       0.61994652       0.49620424 
           0.33215652       0.36584294       0.16645990 
           0.31472130       0.87262068       0.16712343 
           0.83192502       0.37184024       0.16640135 
           0.81916086       0.87321656       0.16869123 
           0.91552566       0.52821132       0.62641842 
           0.95596596       0.41442636       0.62309396 
           0.12144631       0.32591117       0.22689302 
           0.11593706       0.92200166       0.22828049 
           0.61314462       0.42329817       0.22754343 
           0.61578772       0.92920347       0.22994605 
           0.31651988       0.44002239       0.15140068 
           0.34541424       0.94451045       0.15370652 
           0.84572567       0.45129597       0.15428348 
           0.83541455       0.94855684       0.15453325 
           0.23935794       0.11919445       0.62317831 
           0.28521732       0.61876323       0.67835286 
           0.24350523       0.63037978       0.62240531 
           0.28072749       0.12638979       0.67918311 
           0.96421323       0.46439273       0.68781103 
           0.84456542       0.80544970       0.69186589 
           0.86058215       0.09831282       0.62381829 
           0.85354869       0.55934870       0.64660369 
           0.70919738       0.50730401       0.61751927 
           0.31860816       0.62305062       0.64585428 
           0.31390295       0.12292633       0.64624873 
   
  
  
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         133 
         134 
         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 
   
  
  
          0.13002582       0.11378410       0.52021790 
          0.37931387       0.12230284       0.25977323 
          0.11198196       0.35990643       0.56932306 
          0.31614458       0.37448409       0.21659521 
          0.35447510       0.37237854       0.62095093 
          0.12956759       0.12096224       0.31341732 
          0.37611433       0.12439147       0.46819389 
          0.12334148       0.37624482       0.36243707 
          0.36994334       0.37347326       0.41608013 
          0.12095964       0.61372504       0.52265516 
          0.37635376       0.62417867       0.26001633 
          0.11972167       0.86798555       0.57452558 
          0.31244873       0.87340318       0.21760859 
          0.37918289       0.87256128       0.62185012 
          0.12636694       0.62951893       0.31281098 
          0.36899479       0.62195441       0.46908943 
          0.12571776       0.87593246       0.36763665 
          0.38107084       0.87230243       0.41751082 
          0.62116629       0.13270216       0.52499209 
          0.87771692       0.12637010       0.26155883 
          0.58247167       0.37695186       0.57157800 
          0.80972704       0.37441872       0.21659313 
          0.62684989       0.12527544       0.31376111 
          0.87395325       0.13026848       0.47174096 
          0.62192533       0.37370727       0.36528005 
          0.87386343       0.37460787       0.41519561 
          0.61983544       0.62277741       0.52179497 
          0.87603133       0.62530055       0.26045006 
          0.62280534       0.87441339       0.57064487 
          0.81097305       0.87704546       0.21914506 
          0.86717759       0.88706949       0.62946108 
          0.62723448       0.62048244       0.31246811 
          0.87115614       0.62241669       0.46959765 
          0.62763274       0.87059680       0.36229216 
          0.87240169       0.87777889       0.41815347 
          0.11945363       0.99149566       0.54951090 
          0.37491822       0.24730405       0.23278342 
          0.38950671       0.23375396       0.64073499 
          0.15787723       0.23721908       0.54293747 
          0.38145776       0.49936494       0.23228842 
          0.39132534       0.51281685       0.63954931 
          0.44200460       0.36949281       0.57926298 
          0.17810147       0.38901402       0.23293649 
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          0.70919738       0.50730401       0.61751927 
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          0.31390295       0.12292633       0.64624873 
  
 
 
  
   
   
   
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