vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  14:42:13 
 
 
  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 
    
   
   
           0.18371336       0.42137624       0.04663617 
           0.30694491       0.17955999       0.59121216 
           0.86489018       0.08798940       0.17003120 
           0.55083767       0.31594485       0.26563254 
           0.53573165       0.00129107       0.97835293 
           0.88402258       0.20837384       0.18973848 
           0.68573629       0.64628755       0.50303880 
           0.79455961       0.44694443       0.31038173 
           0.75282060       0.87410336       0.59304605 
           0.83276454       0.01088583       0.74639507 
           0.46308258       0.44277673       0.44341563 
           0.83938151       0.92770819       0.88505417 
           0.45161508       0.80272658       0.26555337 
           0.36720117       0.92536916       0.81241680 
           0.91645505       0.28014292       0.94622736 
           0.18508716       0.67251993       0.18387914 
           0.23993821       0.67440882       0.86209201 
           0.51642227       0.65799350       0.32763861 
           0.57650871       0.24614152       0.52321427 
           0.32717413       0.33359042       0.68450372 
           0.26280087       0.44528880       0.52647151 
           0.34949979       0.45437664       0.39112927 
           0.26714231       0.24324252       0.27516210 
           0.93952140       0.92200385       0.41844664 
           0.67161369       0.76051522       0.10446001 
           0.73927537       0.47607613       0.53158533 
           0.91783662       0.35482904       0.25466477 
           0.36858802       0.16725716       0.50516179 
           0.92213258       0.18641480       0.79753932 
           0.37291540       0.30467476       0.19824589 
           0.26018668       0.72770343       0.20949555 
           0.41844787       0.14805836       0.20797413 
           0.36669821       0.82581853       0.55327403 
           0.73680252       0.22347093       0.21088309 
           0.49420312       0.79953228       0.33452910 
           0.41309410       0.24747378       0.29544024 
           0.89391373       0.06993842       0.33048527 
           0.34801701       0.53760694       0.69633777 
           0.81132711       0.36719873       0.93372230 
           0.20174609       0.68475516       0.18579390 
           0.48275751       0.75295233       0.59676812 
           0.00320713       0.36004775       0.65977018 
           0.99634827       0.86567708       0.34144787 
           0.55780063       0.01372869       0.47799478 
           0.53682412       0.46585841       0.14830939 
           0.36105431       0.97423918       0.63431845 
           0.78134253       0.31755670       0.27266801 
           0.72562296       0.74011074       0.67959704 
           0.00601168       0.79042644       0.51556144 
           0.90887321       0.30790356       0.04719948 
           0.07849353       0.76537424       0.08095361 
           0.65749773       0.78835617       0.79369411 
           0.00502237       0.62807925       0.36225992 
           0.79459290       0.76625438       0.17002936 
           0.91953478       0.29010470       0.13897104 
           0.46484417       0.38504876       0.27076623 
           0.37150730       0.40767753       0.38243637 
           0.66029768       0.61353493       0.34406113 
           0.55158281       0.31004665       0.30449198 
           0.64651851       0.75736723       0.66920480 
           0.25000236       0.70615713       0.90089687 
           0.89122485       0.67247652       0.37273723 
           0.42246212       0.40133170       0.49231812 
           0.66744110       0.78880758       0.97754292 
           0.82438519       0.41744497       0.18108384 
           0.84110853       0.50045355       0.22403324 
           0.16971811       0.63239930       0.68218760 
           0.48709389       0.27218502       0.03136944 
           0.35438984       0.95320131       0.25275257 
           0.91215320       0.49426836       0.47164724 
           0.39392731       0.53555504       0.07785446 
           0.53926839       0.65249948       0.58349643 
           0.61647512       0.73900483       0.45344495 
           0.64427547       0.60288144       0.01276004 
           0.68777682       0.37248461       0.57204030 
           0.40314864       0.31302787       0.40090578 
           0.00226005       0.09183925       0.42870990 
           0.96098654       0.08749421       0.48553249 
           0.57900395       0.96212382       0.32600435 
           0.62730027       0.92788166       0.21405065 
           0.81222560       0.23297835       0.79671856 
           0.11729163       0.78704153       0.45618205 
           0.16930534       0.66320469       0.60295444 
           0.37744288       0.24890583       0.76173731 
           0.98173993       0.72620259       0.23445711 
           0.94341357       0.16786947       0.30746857 
           0.35079295       0.14883630       0.31789102 
           0.72969354       0.69228485       0.36573852 
           0.53115683       0.70464913       0.46095453 
           0.81732715       0.18402328       0.31150915 
           0.47792377       0.89535489       0.14806743 
           0.74997532       0.24682379       0.32028956 
           0.42261838       0.86841924       0.18689594 
           0.01353251       0.53402688       0.15333713 
           0.48615618       0.64623418       0.67342698 
           0.51362848       0.79123677       0.22625353 
           0.03271293       0.06099868       0.41461498 
           0.54177210       0.84658532       0.81609258 
           0.76982281       0.19843333       0.24522692 
           0.65670371       0.78866113       0.85254653 
           0.43814571       0.61284054       0.45447077 
           0.37964725       0.80461748       0.44797271 
           0.21908817       0.47421993       0.40456091 
           0.47737848       0.03164336       0.50350875 
           0.39487000       0.69538283       0.39629093 
           0.22871865       0.87932993       0.30831221 
           0.10840754       0.50424509       0.01076038 
           0.46728680       0.85325610       0.69108509 
           0.84067846       0.25694798       0.54903561 
           0.88176077       0.84927929       0.31771569 
           0.93832167       0.94341222       0.08816641 
           0.82291110       0.99409399       0.13322039 
           0.57194987       0.13961866       0.23017633 
           0.01981794       0.13239293       0.05214721 
           0.20181123       0.79956035       0.77590891 
           0.70456195       0.29066673       0.78894443 
           0.84317733       0.75706258       0.33864111 
           0.92255971       0.79650021       0.28933346 
           0.92459003       0.66426929       0.38512876 
           0.87251710       0.65584776       0.28613207 
           0.83335962       0.40726976       0.18116461 
           0.25775451       0.25157567       0.18136641 
           0.26079615       0.51525077       0.17069630 
           0.58924421       0.24076937       0.03445124 
           0.47338013       0.83521022       0.59909973 
           0.02457772       0.24990052       0.77283785 
           0.70562750       0.93820638       0.73547459 
           0.05992430       0.60921034       0.58867589 
           0.25768743       0.86801470       0.41812355 
           0.57189599       0.84128746       0.25178207 
           0.20980648       0.52382913       0.94320923 
           0.25162696       0.38183687       0.25967898 
           0.09425994       0.70065534       0.30285601 
           0.82683801       0.19755311       0.65908887 
           0.93436800       0.94428713       0.67377564 
   
  
  
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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 
   
  
  
          0.18371336       0.42137624       0.04663617 
          0.30694491       0.17955999       0.59121216 
          0.86489018       0.08798940       0.17003120 
          0.55083767       0.31594485       0.26563254 
          0.53573165       0.00129107       0.97835293 
          0.88402258       0.20837384       0.18973848 
          0.68573629       0.64628755       0.50303880 
          0.79455961       0.44694443       0.31038173 
          0.75282060       0.87410336       0.59304605 
          0.83276454       0.01088583       0.74639507 
          0.46308258       0.44277673       0.44341563 
          0.83938151       0.92770819       0.88505417 
          0.45161508       0.80272658       0.26555337 
          0.36720117       0.92536916       0.81241680 
          0.91645505       0.28014292       0.94622736 
          0.18508716       0.67251993       0.18387914 
          0.23993821       0.67440882       0.86209201 
          0.51642227       0.65799350       0.32763861 
          0.57650871       0.24614152       0.52321427 
          0.32717413       0.33359042       0.68450372 
          0.26280087       0.44528880       0.52647151 
          0.34949979       0.45437664       0.39112927 
          0.26714231       0.24324252       0.27516210 
          0.93952140       0.92200385       0.41844664 
          0.67161369       0.76051522       0.10446001 
          0.73927537       0.47607613       0.53158533 
          0.91783662       0.35482904       0.25466477 
          0.36858802       0.16725716       0.50516179 
          0.92213258       0.18641480       0.79753932 
          0.37291540       0.30467476       0.19824589 
          0.26018668       0.72770343       0.20949555 
          0.41844787       0.14805836       0.20797413 
          0.36669821       0.82581853       0.55327403 
          0.73680252       0.22347093       0.21088309 
          0.49420312       0.79953228       0.33452910 
          0.41309410       0.24747378       0.29544024 
          0.89391373       0.06993842       0.33048527 
          0.34801701       0.53760694       0.69633777 
          0.81132711       0.36719873       0.93372230 
          0.20174609       0.68475516       0.18579390 
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