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 
    
   
   
           0.12978798       0.12385528       0.52195491 
           0.38329218       0.12442249       0.25767610 
           0.12239772       0.37549657       0.57522442 
           0.32013676       0.37448795       0.21533759 
           0.38563197       0.37025528       0.62400290 
           0.13361876       0.12264484       0.31078874 
           0.37868236       0.12147789       0.46829926 
           0.13095481       0.37304180       0.36273165 
           0.37981078       0.37192956       0.41545010 
           0.13119968       0.62364875       0.52062418 
           0.38215965       0.62415688       0.25797077 
           0.12529039       0.87246225       0.57326194 
           0.31562814       0.87376391       0.21700093 
           0.38027667       0.87098674       0.62448381 
           0.13249110       0.62268659       0.31021669 
           0.38077839       0.62244245       0.46806950 
           0.13266109       0.87164413       0.36290795 
           0.38320652       0.87162845       0.41495284 
           0.63087324       0.12038366       0.52042838 
           0.88461415       0.12583708       0.25788129 
           0.63740345       0.37118150       0.57252291 
           0.82416211       0.37483384       0.21483440 
           0.63336129       0.12553257       0.30975709 
           0.88293359       0.12320704       0.46781040 
           0.63057659       0.37469131       0.36258116 
           0.88083426       0.37339865       0.41509300 
           0.63265480       0.62287816       0.52051466 
           0.88397037       0.62329665       0.25719030 
           0.62992120       0.87161029       0.57292647 
           0.81717521       0.87568598       0.21751201 
           0.87615802       0.90791194       0.62407693 
           0.63356665       0.62291058       0.30933062 
           0.88352809       0.62411927       0.46745925 
           0.63254188       0.87422541       0.36166592 
           0.88235722       0.87393928       0.41461973 
           0.12844659       0.99807684       0.54843557 
           0.38198224       0.24866132       0.23047778 
           0.39374735       0.23170370       0.64584907 
           0.12660172       0.24889535       0.54952086 
           0.38528162       0.49942319       0.23039543 
           0.40111181       0.50951890       0.64814697 
           0.51168039       0.37152522       0.59824581 
           0.18311446       0.38675797       0.23292200 
           0.25236436       0.37699486       0.60171572 
           0.25925116       0.12282602       0.28457440 
           0.01127817       0.12313133       0.28300274 
           0.13306094       0.99845393       0.33711932 
           0.37854951       0.24626200       0.44148385 
           0.13175110       0.24765416       0.33671691 
           0.37881231       0.49788597       0.44153390 
           0.50574044       0.37232430       0.38937260 
           0.25631019       0.37224960       0.38899295 
           0.25721424       0.12271873       0.49574153 
           0.00712781       0.12433826       0.49364967 
           0.12889459       0.49829257       0.54760342 
           0.38197182       0.74960393       0.23126614 
           0.39058592       0.73264078       0.64789132 
           0.12931207       0.74884686       0.54731905 
           0.38538073       0.99920179       0.23047299 
           0.38862939       0.00955758       0.64729555 
           0.50273698       0.87082642       0.59948378 
           0.18236033       0.86607018       0.23768969 
           0.24773676       0.86985503       0.60176257 
           0.25988068       0.62243508       0.28534682 
           0.00844279       0.62138966       0.28334398 
           0.13080572       0.49897631       0.33708503 
           0.38654942       0.74725582       0.44201943 
           0.13102500       0.74720064       0.33670563 
           0.38282980       0.99655217       0.44209015 
           0.50617528       0.87146227       0.38733867 
           0.25691645       0.87117352       0.38948998 
           0.25860803       0.62467593       0.49475110 
           0.00741160       0.62297089       0.49309495 
           0.62973581       0.99789368       0.54626214 
           0.89087997       0.25130211       0.23090518 
           0.62854742       0.24608211       0.54549087 
           0.88781907       0.50281963       0.22781469 
           0.86667580       0.44490574       0.65603780 
           0.99509773       0.38126553       0.60290990 
           0.68919706       0.36266364       0.23372142 
           0.77442230       0.36661817       0.59336653 
           0.76003999       0.12476727       0.28391618 
           0.50984033       0.12417876       0.28241364 
           0.63152239       0.00077507       0.33622592 
           0.87913927       0.24977976       0.44225847 
           0.63134128       0.25003231       0.33624735 
           0.88117104       0.49937069       0.44114764 
           0.00555948       0.37141738       0.38897077 
           0.75528176       0.37387985       0.38888835 
           0.75623648       0.12015683       0.49417334 
           0.50613776       0.12160390       0.49371792 
           0.63337890       0.49816939       0.54615597 
           0.88408117       0.75185561       0.23200271 
           0.87640536       0.84877298       0.66917493 
           0.62952303       0.74508358       0.54604170 
           0.88709240       0.00149897       0.23024892 
           0.89099734       0.04995948       0.62849681 
           0.00002610       0.86861065       0.59958005 
           0.68455792       0.86828329       0.23877836 
           0.75423857       0.86873406       0.59980139 
           0.75837792       0.61558839       0.28277916 
           0.50954477       0.62282529       0.28256042 
           0.62919658       0.50065990       0.33722327 
           0.88193395       0.74822722       0.44110957 
           0.63648978       0.75001100       0.33468380 
           0.88331221       0.00041883       0.44060375 
           0.00733716       0.87315171       0.38861032 
           0.75633331       0.87459299       0.38844332 
           0.75736272       0.62395542       0.49408407 
           0.50783741       0.61936031       0.49384791 
           0.33075738       0.36563107       0.16474113 
           0.31175297       0.87410909       0.16619545 
           0.82964800       0.36947042       0.16399856 
           0.81316820       0.87339478       0.16675746 
           0.61023749       0.51782171       0.68934580 
           0.87964847       0.39553748       0.61607554 
           0.12406904       0.32599263       0.22642930 
           0.11907027       0.91880965       0.22821585 
           0.62808855       0.41981361       0.22595248 
           0.62197659       0.92218674       0.22989020 
           0.31346137       0.43808553       0.14943890 
           0.34518018       0.94356589       0.15264896 
           0.84838612       0.44537111       0.15079075 
           0.83576232       0.94651649       0.15287306 
           0.25923244       0.12367720       0.62144088 
           0.27801244       0.61610928       0.67873450 
           0.26393922       0.61401718       0.62270357 
           0.27401756       0.12522224       0.67744182 
           0.77982336       0.45259359       0.66395797 
           0.83713822       0.76035251       0.67195737 
           0.82445501       0.09486697       0.64621318 
           0.59483304       0.48179090       0.72524857 
           0.54841630       0.54719085       0.68375584 
           0.32569718       0.61809537       0.64904651 
           0.32168642       0.12433466       0.64759528 
   
  
  
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         131 
         132 
         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 
   
  
  
          0.12978798       0.12385528       0.52195491 
          0.38329218       0.12442249       0.25767610 
          0.12239772       0.37549657       0.57522442 
          0.32013676       0.37448795       0.21533759 
          0.38563197       0.37025528       0.62400290 
          0.13361876       0.12264484       0.31078874 
          0.37868236       0.12147789       0.46829926 
          0.13095481       0.37304180       0.36273165 
          0.37981078       0.37192956       0.41545010 
          0.13119968       0.62364875       0.52062418 
          0.38215965       0.62415688       0.25797077 
          0.12529039       0.87246225       0.57326194 
          0.31562814       0.87376391       0.21700093 
          0.38027667       0.87098674       0.62448381 
          0.13249110       0.62268659       0.31021669 
          0.38077839       0.62244245       0.46806950 
          0.13266109       0.87164413       0.36290795 
          0.38320652       0.87162845       0.41495284 
          0.63087324       0.12038366       0.52042838 
          0.88461415       0.12583708       0.25788129 
          0.63740345       0.37118150       0.57252291 
          0.82416211       0.37483384       0.21483440 
          0.63336129       0.12553257       0.30975709 
          0.88293359       0.12320704       0.46781040 
          0.63057659       0.37469131       0.36258116 
          0.88083426       0.37339865       0.41509300 
          0.63265480       0.62287816       0.52051466 
          0.88397037       0.62329665       0.25719030 
          0.62992120       0.87161029       0.57292647 
          0.81717521       0.87568598       0.21751201 
          0.87615802       0.90791194       0.62407693 
          0.63356665       0.62291058       0.30933062 
          0.88352809       0.62411927       0.46745925 
          0.63254188       0.87422541       0.36166592 
          0.88235722       0.87393928       0.41461973 
          0.12844659       0.99807684       0.54843557 
          0.38198224       0.24866132       0.23047778 
          0.39374735       0.23170370       0.64584907 
          0.12660172       0.24889535       0.54952086 
          0.38528162       0.49942319       0.23039543 
          0.40111181       0.50951890       0.64814697 
          0.51168039       0.37152522       0.59824581 
          0.18311446       0.38675797       0.23292200 
          0.25236436       0.37699486       0.60171572 
          0.25925116       0.12282602       0.28457440 
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          0.13306094       0.99845393       0.33711932 
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          0.37881231       0.49788597       0.44153390 
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          0.25721424       0.12271873       0.49574153 
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          0.39058592       0.73264078       0.64789132 
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          0.89099734       0.04995948       0.62849681 
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          0.50954477       0.62282529       0.28256042 
          0.62919658       0.50065990       0.33722327 
          0.88193395       0.74822722       0.44110957 
          0.63648978       0.75001100       0.33468380 
          0.88331221       0.00041883       0.44060375 
          0.00733716       0.87315171       0.38861032 
          0.75633331       0.87459299       0.38844332 
          0.75736272       0.62395542       0.49408407 
          0.50783741       0.61936031       0.49384791 
          0.33075738       0.36563107       0.16474113 
          0.31175297       0.87410909       0.16619545 
          0.82964800       0.36947042       0.16399856 
          0.81316820       0.87339478       0.16675746 
          0.61023749       0.51782171       0.68934580 
          0.87964847       0.39553748       0.61607554 
          0.12406904       0.32599263       0.22642930 
          0.11907027       0.91880965       0.22821585 
          0.62808855       0.41981361       0.22595248 
          0.62197659       0.92218674       0.22989020 
          0.31346137       0.43808553       0.14943890 
          0.34518018       0.94356589       0.15264896 
          0.84838612       0.44537111       0.15079075 
          0.83576232       0.94651649       0.15287306 
          0.25923244       0.12367720       0.62144088 
          0.27801244       0.61610928       0.67873450 
          0.26393922       0.61401718       0.62270357 
          0.27401756       0.12522224       0.67744182 
          0.77982336       0.45259359       0.66395797 
          0.83713822       0.76035251       0.67195737 
          0.82445501       0.09486697       0.64621318 
          0.59483304       0.48179090       0.72524857 
          0.54841630       0.54719085       0.68375584 
          0.32569718       0.61809537       0.64904651 
          0.32168642       0.12433466       0.64759528 
  
 
 
  
      43.31   43.39
      43.78   43.86
   
        359.16747114 
     171938.14567587 
    -205143.73199393 
       1980.85436017 
      31105.11356243 
     -30633.67676583 
         -0.00191641 
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      38765.91630275 
       5504.22345725 
       5504.22537366 
       5504.22409605 
   
  
  
      48.42   48.42
      48.42   48.42
   
       -173.73777107 
       -173.75928173 
       -173.74494129 
   
  
  
      43.64   43.67
      43.65   43.67
   
      -1081.01305353 
      -1081.03797248 
      -1081.02135985 
   
  
  
      44.12   44.14
      44.12   44.14
   
      -1107.78797608 
      -1107.81324650 
      -1107.79639956 
   
  
  
      45.61   45.62
      45.79   45.80
   
      -1108.63677543 
      -1108.66205190 
      -1108.64520092 
   
  
  
      42.66   42.66
      43.32   43.33
   
       -980.04216141 
       -980.07536676 
       -980.05322986 
   
  
  
      47.38   47.40
      48.03   48.04
   
       -978.91866858 
       -978.95164832 
       -978.92966182 
   
  
  
      44.22   44.23
      44.87   44.88
   
       -978.25155353 
       -978.27389057 
       -978.25899921 
   
  
  
      44.05   44.06
      44.67   44.68
   
       -978.10108049 
       -978.12219191 
       -978.10811763 
   
  
  
      44.17   44.18
      44.78   44.78
   
       -978.10847510 
       -978.12937466 
       -978.11544162 
   
  
  
      42.93   42.94
      43.53   43.54
   
       -978.10891610 
       -978.12968921 
       -978.11584047 
   
  
  
      43.91   43.92
      44.50   44.51
   
       -978.10999178 
       -978.13070957 
       -978.11689771 
   
  
  
      42.84   42.85
      43.46   43.47
   
       -978.11179418 
       -978.13243391 
       -978.11867409 
   
  
  
      43.78   43.79
      44.37   44.38
   
       -978.11506938 
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       -978.12193361 
   
  
  
      44.54   44.54
      45.14   45.15
   
       -978.11977753 
       -978.14034305 
       -978.12663270 
   
  
  
      43.28   43.29
      43.88   43.89
   
       -978.12160454 
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      42.68   42.69
      43.28   43.30
   
       -978.12224605 
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      41.29   41.30
      41.92   41.93
   
       -978.12325526 
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