vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  15:37:58 
 
 
  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 
    
   
   
           0.12120973       0.11379939       0.42254183 
           0.98446449       0.30793960       0.36111159 
           0.67414935       0.40465226       0.08059090 
           0.10054915       0.64447643       0.30315094 
           0.03355332       0.16891011       0.51326021 
           0.68613942       0.81190016       0.29812732 
           0.97557533       0.21879245       0.51053772 
           0.03923867       0.10525229       0.35708368 
           0.43633045       0.52029229       0.48379728 
           0.98895099       0.19096450       0.53148969 
           0.94410269       0.91307623       0.29541098 
           0.04482798       0.26126971       0.59936058 
           0.21481204       0.03608426       0.22469172 
           0.68717491       0.75767694       0.52751991 
           0.46450222       0.30817511       0.27577804 
           0.75490581       0.56778365       0.55380350 
           0.46936376       0.66042072       0.39181129 
           0.33562963       0.05256303       0.72567902 
           0.11222794       0.47762069       0.50195516 
           0.02431664       0.92448718       0.40081621 
           0.93000677       0.39646651       0.69898721 
           0.15222079       0.30457963       0.56684891 
           0.11285642       0.71200361       0.54844139 
           0.58615417       0.55328932       0.52470067 
           0.37029354       0.00299387       0.51574229 
           0.87969842       0.88631951       0.49106678 
           0.88726017       0.11562096       0.43778873 
           0.58959877       0.19318604       0.62638401 
           0.14066481       0.82563435       0.80204135 
           0.83581010       0.88051175       0.16595060 
           0.01838090       0.03495098       0.70688112 
           0.49563377       0.94256660       0.72527257 
           0.55263346       0.03264671       0.59192636 
           0.47270966       0.78151379       0.81165645 
           0.19945982       0.18084758       0.55626250 
           0.43607845       0.17048269       0.30421368 
           0.11899588       0.48004111       0.37068475 
           0.88291441       0.27807978       0.58446812 
           0.37327236       0.32523465       0.12865406 
           0.46910379       0.63917077       0.36543074 
           0.60845769       0.90997212       0.14108557 
           0.49743259       0.08898261       0.64891682 
           0.01180895       0.95214951       0.32323397 
           0.23105144       0.96480485       0.56949593 
           0.86778812       0.33875179       0.33980171 
           0.50617679       0.92831952       0.24752605 
           0.62854364       0.62776164       0.36093898 
           0.73812231       0.60339137       0.68256185 
           0.04034307       0.86477772       0.39587171 
           0.95531215       0.41416617       0.54835004 
           0.31423326       0.80667393       0.47248854 
           0.79588236       0.16366539       0.56092840 
           0.59942688       0.44036039       0.52757524 
           0.01836908       0.43654877       0.65441760 
           0.86030547       0.20202488       0.47217876 
           0.21638199       0.89711521       0.23209011 
           0.24830386       0.36679498       0.43230481 
           0.92361087       0.00948328       0.46831979 
           0.18994490       0.12131515       0.31691578 
           0.59137799       0.83933301       0.64626732 
           0.50748455       0.86077459       0.40589681 
           0.01352215       0.84340763       0.21946305 
           0.08386775       0.04951312       0.59132370 
           0.52987006       0.97551489       0.17366845 
           0.30840383       0.71044479       0.29937966 
           0.80141890       0.03828056       0.28797776 
           0.04010128       0.02561016       0.67822019 
           0.27934132       0.46787843       0.34255221 
           0.63585495       0.93561326       0.59844863 
           0.73877595       0.41764203       0.98240586 
           0.65118975       0.21732797       0.40562634 
           0.41798129       0.87777618       0.58390564 
           0.81311998       0.06629856       0.82720297 
           0.08611473       0.48468949       0.58182564 
           0.34355414       0.44674423       0.66091556 
           0.86324418       0.51942845       0.68201002 
           0.10090980       0.50096316       0.89793084 
           0.39697864       0.31276704       0.33421706 
           0.86216524       0.91523539       0.92724035 
           0.49986317       0.69731305       0.13069775 
           0.19093442       0.81921718       0.40657501 
           0.27751794       0.44615122       0.61709559 
           0.09324453       0.05757067       0.47155642 
           0.84635685       0.88037422       0.73568562 
           0.14227310       0.37189366       0.31197438 
           0.11487034       0.11050527       0.35280104 
           0.85339718       0.97422743       0.53316248 
           0.97441068       0.24364884       0.35968505 
           0.59478910       0.83678614       0.55331370 
           0.93711042       0.91340904       0.18999743 
           0.55359860       0.90379235       0.71367214 
           0.78647329       0.12646252       0.60057841 
           0.52419227       0.77957215       0.35338770 
           0.42964410       0.78600274       0.73476405 
           0.04263897       0.21522543       0.59705315 
           0.71865550       0.11350189       0.21233928 
           0.15245335       0.90823886       0.63515819 
           0.80121477       0.04858015       0.24269454 
           0.41110614       0.94089991       0.00172093 
           0.75364350       0.05097604       0.16420067 
           0.29256583       0.30150299       0.14774241 
           0.77006428       0.20813829       0.50351972 
           0.16574919       0.48890816       0.61424956 
           0.34278728       0.29774754       0.59474298 
           0.10930129       0.60653496       0.88618348 
           0.54500047       0.17073346       0.56198517 
           0.21397723       0.18012410       0.43344665 
           0.92282670       0.28593572       0.70554280 
           0.11305292       0.03251634       0.36025756 
           0.46074944       0.25605311       0.63715192 
           0.89733724       0.50432488       0.27694457 
           0.14999752       0.11480928       0.19073431 
           0.62181519       0.28216331       0.58127441 
           0.35929057       0.47461654       0.11054373 
           0.05081300       0.71176323       0.63390437 
           0.53811365       0.85009989       0.53642443 
           0.75473213       0.19863651       0.25864040 
           0.01044718       0.86650522       0.20135527 
           0.66441889       0.35013209       0.48324115 
           0.53524514       0.50327940       0.13932088 
           0.71298572       0.49028038       0.20509803 
           0.21998294       0.17571098       0.12699258 
           0.78192784       0.25419822       0.42643104 
           0.74503452       0.34230921       0.98954996 
           0.02902972       0.21760868       0.37715253 
           0.36561199       0.95570194       0.62241317 
           0.94848050       0.73835489       0.79852827 
           0.45834877       0.60513364       0.17931122 
           0.12007465       0.15566187       0.66644907 
           0.84720045       0.95138660       0.67738164 
           0.57215768       0.42805969       0.35043175 
           0.97387265       0.00227768       0.00746453 
           0.95303603       0.59979518       0.02674598 
           0.78538384       0.63045179       0.54953733 
           0.27727306       0.31848645       0.01502431 
   
  
  
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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 
   
  
  
          0.12120973       0.11379939       0.42254183 
          0.98446449       0.30793960       0.36111159 
          0.67414935       0.40465226       0.08059090 
          0.10054915       0.64447643       0.30315094 
          0.03355332       0.16891011       0.51326021 
          0.68613942       0.81190016       0.29812732 
          0.97557533       0.21879245       0.51053772 
          0.03923867       0.10525229       0.35708368 
          0.43633045       0.52029229       0.48379728 
          0.98895099       0.19096450       0.53148969 
          0.94410269       0.91307623       0.29541098 
          0.04482798       0.26126971       0.59936058 
          0.21481204       0.03608426       0.22469172 
          0.68717491       0.75767694       0.52751991 
          0.46450222       0.30817511       0.27577804 
          0.75490581       0.56778365       0.55380350 
          0.46936376       0.66042072       0.39181129 
          0.33562963       0.05256303       0.72567902 
          0.11222794       0.47762069       0.50195516 
          0.02431664       0.92448718       0.40081621 
          0.93000677       0.39646651       0.69898721 
          0.15222079       0.30457963       0.56684891 
          0.11285642       0.71200361       0.54844139 
          0.58615417       0.55328932       0.52470067 
          0.37029354       0.00299387       0.51574229 
          0.87969842       0.88631951       0.49106678 
          0.88726017       0.11562096       0.43778873 
          0.58959877       0.19318604       0.62638401 
          0.14066481       0.82563435       0.80204135 
          0.83581010       0.88051175       0.16595060 
          0.01838090       0.03495098       0.70688112 
          0.49563377       0.94256660       0.72527257 
          0.55263346       0.03264671       0.59192636 
          0.47270966       0.78151379       0.81165645 
          0.19945982       0.18084758       0.55626250 
          0.43607845       0.17048269       0.30421368 
          0.11899588       0.48004111       0.37068475 
          0.88291441       0.27807978       0.58446812 
          0.37327236       0.32523465       0.12865406 
          0.46910379       0.63917077       0.36543074 
          0.60845769       0.90997212       0.14108557 
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