vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:38 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.82000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12994516       0.12687010       0.38573370 
           0.37561431       0.12076865       0.30686944 
           0.30128967       0.08858492       0.60942950 
           0.10232437       0.39431357       0.14939419 
           0.09532021       0.37876767       0.46228509 
           0.35336363       0.36765557       0.22834738 
           0.34661815       0.34216633       0.53562459 
           0.13075047       0.62799456       0.38169183 
           0.38150715       0.62106455       0.30637995 
           0.34127561       0.58813511       0.61884628 
           0.11541103       0.89282825       0.14630120 
           0.09018232       0.87279978       0.46328183 
           0.36151506       0.86855930       0.22821272 
           0.34833248       0.83954984       0.53942961 
           0.62669045       0.17000551       0.38644763 
           0.87136129       0.09571843       0.30791907 
           0.81669605       0.12233930       0.61729004 
           0.59856095       0.36581588       0.14825625 
           0.60191401       0.42149530       0.46070345 
           0.84879666       0.34436386       0.22920508 
           0.84228607       0.35387487       0.53626882 
           0.63406915       0.67563134       0.38486363 
           0.87775874       0.60143521       0.30479313 
           0.80813940       0.64837146       0.64784536 
           0.60586754       0.86634149       0.14731864 
           0.59193420       0.92168751       0.46294392 
           0.85889425       0.84711548       0.22615347 
           0.84401583       0.85543400       0.54455166 
           0.96429937       0.38824175       0.65216293 
           0.54462436       0.21844328       0.64489850 
           0.07336699       0.01402691       0.10307133 
           0.08328156       0.02754563       0.43820763 
           0.30325318       0.23956687       0.26813367 
           0.28963094       0.18673333       0.55266690 
           0.15619688       0.26748615       0.10732052 
           0.15796662       0.27537976       0.41470867 
           0.41995320       0.48838628       0.26761109 
           0.36422446       0.43483278       0.59347503 
           0.46696495       0.30773299       0.18381100 
           0.45022417       0.37374360       0.48038029 
           0.22449821       0.43431692       0.19412600 
           0.20167438       0.40819443       0.51269373 
           0.26912275       0.06906736       0.35601942 
           0.15354952       0.06530508       0.64025185 
           0.01579630       0.14350832       0.33585148 
           0.90026686       0.22969278       0.65896708 
           0.05257137       0.51914549       0.10943454 
           0.07268278       0.52590144       0.43099213 
           0.31010606       0.74096606       0.26795721 
           0.38353889       0.69024174       0.56641041 
           0.16758505       0.76142746       0.10637906 
           0.14582804       0.77709975       0.41185020 
           0.42353759       0.99105759       0.26802477 
           0.37877442       0.94782771       0.59076909 
           0.47838267       0.80821287       0.18531860 
           0.44162388       0.86905130       0.48336300 
           0.23530387       0.93379263       0.19189666 
           0.18912049       0.85974716       0.51952337 
           0.27886658       0.57618010       0.35814690 
           0.03051293       0.64111789       0.32671082 
           0.91156855       0.53526193       0.67960191 
           0.55975614       0.98662559       0.10424002 
           0.57733346       0.07907281       0.44122656 
           0.81922151       0.19372876       0.25621556 
           0.78674059       0.20315947       0.55708494 
           0.65228311       0.23563852       0.10800314 
           0.66060031       0.32350559       0.40993782 
           0.88086833       0.44370274       0.28328484 
           0.93166323       0.42661275       0.58552074 
           0.97690744       0.32813637       0.18562162 
           0.94824686       0.32530980       0.48685199 
           0.71805640       0.40412604       0.19427572 
           0.70847871       0.43455048       0.51431314 
           0.76059333       0.09631822       0.35955545 
           0.66846887       0.10183844       0.65030904 
           0.51004931       0.18477350       0.33764919 
           0.39471379       0.15672256       0.66109879 
           0.55598855       0.48781864       0.10544731 
           0.58965737       0.57784325       0.43779646 
           0.82794622       0.69450740       0.25115661 
           0.84427315       0.71767609       0.58480830 
           0.65639900       0.73468620       0.10723929 
           0.65023203       0.82954118       0.41065900 
           0.89135671       0.94343048       0.28130127 
           0.88828812       0.97872269       0.59368575 
           0.98689519       0.83343850       0.18259424 
           0.93844285       0.82741793       0.48573577 
           0.72856330       0.90835533       0.19136140 
           0.69533023       0.90545519       0.51903705 
           0.77800904       0.62084332       0.35950510 
           0.66928461       0.55926180       0.63607929 
           0.52197464       0.68026393       0.33394455 
           0.44788432       0.57565189       0.67432870 
           0.57616565       0.35948346       0.68001399 
           0.53370220       0.24882884       0.57524132 
           0.79150771       0.76625700       0.69673550 
           0.12015381       0.37380890       0.67646014 
           0.19402408       0.64434126       0.64158941 
           0.10494526       0.11088356       0.10717981 
           0.20151830       0.29663904       0.07245922 
           0.09773346       0.61092272       0.10947477 
           0.21183225       0.78694919       0.07077787 
           0.59414999       0.08275434       0.10795712 
           0.69089345       0.26288735       0.07150009 
           0.59442030       0.58245664       0.10822913 
           0.69638216       0.76062141       0.07082340 
           0.61530120       0.21934953       0.55364342 
           0.08244545       0.00961681       0.62205310 
           0.72814104       0.84161779       0.69062050 
           0.15306509       0.27960231       0.68030903 
           0.15432097       0.59780737       0.67454868 
           0.43576369       0.62259326       0.74118583 
           0.56575631       0.49684954       0.66491131 
           0.46228872       0.63033340       0.78052074 
   
  
  
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         114 
  
 
 
  
          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
       613.61400000
         0.00001000
       38
       10
      336
       -1
       -1
       552.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.32000000      0.82000000      0.72000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     10.81100000     18.99800000
         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
        11.70789335
         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
      200
        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  
  
 
 
       114 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    B    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      30Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      68O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12994516       0.12687010       0.38573370 
          0.37561431       0.12076865       0.30686944 
          0.30128967       0.08858492       0.60942950 
          0.10232437       0.39431357       0.14939419 
          0.09532021       0.37876767       0.46228509 
          0.35336363       0.36765557       0.22834738 
          0.34661815       0.34216633       0.53562459 
          0.13075047       0.62799456       0.38169183 
          0.38150715       0.62106455       0.30637995 
          0.34127561       0.58813511       0.61884628 
          0.11541103       0.89282825       0.14630120 
          0.09018232       0.87279978       0.46328183 
          0.36151506       0.86855930       0.22821272 
          0.34833248       0.83954984       0.53942961 
          0.62669045       0.17000551       0.38644763 
          0.87136129       0.09571843       0.30791907 
          0.81669605       0.12233930       0.61729004 
          0.59856095       0.36581588       0.14825625 
          0.60191401       0.42149530       0.46070345 
          0.84879666       0.34436386       0.22920508 
          0.84228607       0.35387487       0.53626882 
          0.63406915       0.67563134       0.38486363 
          0.87775874       0.60143521       0.30479313 
          0.80813940       0.64837146       0.64784536 
          0.60586754       0.86634149       0.14731864 
          0.59193420       0.92168751       0.46294392 
          0.85889425       0.84711548       0.22615347 
          0.84401583       0.85543400       0.54455166 
          0.96429937       0.38824175       0.65216293 
          0.54462436       0.21844328       0.64489850 
          0.07336699       0.01402691       0.10307133 
          0.08328156       0.02754563       0.43820763 
          0.30325318       0.23956687       0.26813367 
          0.28963094       0.18673333       0.55266690 
          0.15619688       0.26748615       0.10732052 
          0.15796662       0.27537976       0.41470867 
          0.41995320       0.48838628       0.26761109 
          0.36422446       0.43483278       0.59347503 
          0.46696495       0.30773299       0.18381100 
          0.45022417       0.37374360       0.48038029 
          0.22449821       0.43431692       0.19412600 
          0.20167438       0.40819443       0.51269373 
          0.26912275       0.06906736       0.35601942 
          0.15354952       0.06530508       0.64025185 
          0.01579630       0.14350832       0.33585148 
          0.90026686       0.22969278       0.65896708 
          0.05257137       0.51914549       0.10943454 
          0.07268278       0.52590144       0.43099213 
          0.31010606       0.74096606       0.26795721 
          0.38353889       0.69024174       0.56641041 
          0.16758505       0.76142746       0.10637906 
          0.14582804       0.77709975       0.41185020 
          0.42353759       0.99105759       0.26802477 
          0.37877442       0.94782771       0.59076909 
          0.47838267       0.80821287       0.18531860 
          0.44162388       0.86905130       0.48336300 
          0.23530387       0.93379263       0.19189666 
          0.18912049       0.85974716       0.51952337 
          0.27886658       0.57618010       0.35814690 
          0.03051293       0.64111789       0.32671082 
          0.91156855       0.53526193       0.67960191 
          0.55975614       0.98662559       0.10424002 
          0.57733346       0.07907281       0.44122656 
          0.81922151       0.19372876       0.25621556 
          0.78674059       0.20315947       0.55708494 
          0.65228311       0.23563852       0.10800314 
          0.66060031       0.32350559       0.40993782 
          0.88086833       0.44370274       0.28328484 
          0.93166323       0.42661275       0.58552074 
          0.97690744       0.32813637       0.18562162 
          0.94824686       0.32530980       0.48685199 
          0.71805640       0.40412604       0.19427572 
          0.70847871       0.43455048       0.51431314 
          0.76059333       0.09631822       0.35955545 
          0.66846887       0.10183844       0.65030904 
          0.51004931       0.18477350       0.33764919 
          0.39471379       0.15672256       0.66109879 
          0.55598855       0.48781864       0.10544731 
          0.58965737       0.57784325       0.43779646 
          0.82794622       0.69450740       0.25115661 
          0.84427315       0.71767609       0.58480830 
          0.65639900       0.73468620       0.10723929 
          0.65023203       0.82954118       0.41065900 
          0.89135671       0.94343048       0.28130127 
          0.88828812       0.97872269       0.59368575 
          0.98689519       0.83343850       0.18259424 
          0.93844285       0.82741793       0.48573577 
          0.72856330       0.90835533       0.19136140 
          0.69533023       0.90545519       0.51903705 
          0.77800904       0.62084332       0.35950510 
          0.66928461       0.55926180       0.63607929 
          0.52197464       0.68026393       0.33394455 
          0.44788432       0.57565189       0.67432870 
          0.57616565       0.35948346       0.68001399 
          0.53370220       0.24882884       0.57524132 
          0.79150771       0.76625700       0.69673550 
          0.12015381       0.37380890       0.67646014 
          0.19402408       0.64434126       0.64158941 
          0.10494526       0.11088356       0.10717981 
          0.20151830       0.29663904       0.07245922 
          0.09773346       0.61092272       0.10947477 
          0.21183225       0.78694919       0.07077787 
          0.59414999       0.08275434       0.10795712 
          0.69089345       0.26288735       0.07150009 
          0.59442030       0.58245664       0.10822913 
          0.69638216       0.76062141       0.07082340 
          0.61530120       0.21934953       0.55364342 
          0.08244545       0.00961681       0.62205310 
          0.72814104       0.84161779       0.69062050 
          0.15306509       0.27960231       0.68030903 
          0.15432097       0.59780737       0.67454868 
          0.43576369       0.62259326       0.74118583 
          0.56575631       0.49684954       0.66491131 
          0.46228872       0.63033340       0.78052074 
  
  
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
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     T  T  T 
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     F  F  F 
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     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
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     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
     T  T  T 
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     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      20.37   20.42
      21.51   21.55
   
        473.81405041 
      49181.90897513 
     -78992.93266016 
       1709.43657903 
      26821.66247716 
     -26420.54417613 
         -0.01229688 
      -1947.58070470 
      33391.18858154 
       4216.94082539 
       4216.95312227 
       4216.94492435 
   
  
  
      29.73   29.73
      29.73   29.73
   
       -408.05266554 
       -408.07764277 
       -408.06099128 
   
  
  
      28.30   28.31
      28.30   28.31
   
       -922.82721004 
       -922.96026624 
       -922.87156210 
   
  
  
      28.32   28.32
      28.32   28.33
   
       -935.11590570 
       -935.25554763 
       -935.16245301 
   
  
  
      28.53   28.53
      28.71   28.71
   
       -935.50306138 
       -935.64175407 
       -935.54929227 
   
  
  
      27.62   27.62
      28.31   28.32
   
       -830.65063988 
       -830.70493204 
       -830.66873726 
   
  
  
      30.50   30.50
      31.18   31.18
   
       -830.23812096 
       -830.29457135 
       -830.25693776 
   
  
  
      28.67   28.67
      29.37   29.37
   
       -829.95197320 
       -830.02422839 
       -829.97605826 
   
  
  
      32.64   32.66
      33.31   33.34
   
       -829.96322282 
       -830.01534763 
       -829.98059776 
   
  
  
      30.81   30.83
      31.47   31.49
   
       -829.93225842 
       -829.98786197 
       -829.95079294 
   
  
  
      28.26   28.28
      29.02   29.04
   
       -829.92512246 
       -829.99424292 
       -829.94816262 
   
  
  
      30.71   30.72
      31.38   31.39
   
       -829.92151990 
       -829.99481261 
       -829.94595080 
   
  
  
      30.09   30.13
      30.77   30.80
   
       -829.92180148 
       -829.99823202 
       -829.94727833 
   
  
  
      30.95   30.99
      31.63   31.66
   
       -829.92045080 
       -829.99585057 
       -829.94558406 
   
  
  
      28.45   28.48
      29.17   29.20
   
       -829.92311527 
       -830.00089921 
       -829.94904325 
   
  
  
      28.71   28.75
      29.40   29.44
   
       -829.92379907 
       -830.00270779 
       -829.95010198 
   
  
  
      27.78   27.82
      28.46   28.50
   
       -829.92675632 
       -830.00740872 
       -829.95364045 
   
  
  
      29.58   29.63
      30.43   30.48
   
       -829.92942932 
       -830.01243416 
       -829.95709760