vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:46 
 
 
  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 
    
   
   
           0.12936001       0.12707095       0.38613678 
           0.37502916       0.12096950       0.30727252 
           0.30061299       0.08800799       0.60954293 
           0.10173922       0.39451442       0.14979727 
           0.09473506       0.37896852       0.46268817 
           0.35277848       0.36785642       0.22875046 
           0.34664843       0.34078124       0.53614084 
           0.13016532       0.62819541       0.38209491 
           0.38092200       0.62126540       0.30678303 
           0.33503143       0.58786494       0.61742157 
           0.11482588       0.89302910       0.14670428 
           0.08959717       0.87300063       0.46368491 
           0.36092991       0.86876015       0.22861580 
           0.34769964       0.83949072       0.53967011 
           0.62610530       0.17020636       0.38685071 
           0.87077614       0.09591928       0.30832215 
           0.81448438       0.12267084       0.61716114 
           0.59797580       0.36601673       0.14865933 
           0.60132886       0.42169615       0.46110653 
           0.84821151       0.34456471       0.22960816 
           0.84115134       0.35390067       0.53639597 
           0.63348400       0.67583219       0.38526671 
           0.87717359       0.60163606       0.30519621 
           0.80774196       0.65000298       0.64927961 
           0.60528239       0.86654234       0.14772172 
           0.59134905       0.92188836       0.46334700 
           0.85830910       0.84731633       0.22655655 
           0.84280714       0.85501164       0.54496219 
           0.96292449       0.38792948       0.65223283 
           0.54301734       0.22132524       0.64565115 
           0.07278184       0.01422776       0.10347441 
           0.08269641       0.02774648       0.43861071 
           0.30266803       0.23976772       0.26853675 
           0.28978509       0.18514406       0.55266406 
           0.15561173       0.26768700       0.10772360 
           0.15738147       0.27558061       0.41511175 
           0.41936805       0.48858713       0.26801417 
           0.36201158       0.43435680       0.59479190 
           0.46637980       0.30793384       0.18421408 
           0.44963902       0.37394445       0.48078337 
           0.22391306       0.43451777       0.19452908 
           0.20180098       0.40710227       0.51305907 
           0.26853760       0.06926821       0.35642250 
           0.15260941       0.06501616       0.64032791 
           0.01521115       0.14370917       0.33625456 
           0.89825787       0.22971603       0.65897261 
           0.05198622       0.51934634       0.10983762 
           0.07209763       0.52610229       0.43139521 
           0.30952091       0.74116691       0.26836029 
           0.38354866       0.68916245       0.56604132 
           0.16699990       0.76162831       0.10678214 
           0.14524289       0.77730060       0.41225328 
           0.42295244       0.99125844       0.26842785 
           0.37774011       0.94624731       0.59148836 
           0.47779752       0.80841372       0.18572168 
           0.44103873       0.86925215       0.48376608 
           0.23471872       0.93399348       0.19229974 
           0.18856500       0.85966048       0.51985974 
           0.27828143       0.57638095       0.35854998 
           0.02992778       0.64131874       0.32711390 
           0.91371349       0.53629909       0.67952541 
           0.55917099       0.98682644       0.10464310 
           0.57674831       0.07927366       0.44162964 
           0.81863636       0.19392961       0.25661864 
           0.78476604       0.20322044       0.55690734 
           0.65169796       0.23583937       0.10840622 
           0.66001516       0.32370644       0.41034090 
           0.88028318       0.44390359       0.28368792 
           0.92997658       0.42662028       0.58573753 
           0.97632229       0.32833722       0.18602470 
           0.94766171       0.32551065       0.48725507 
           0.71747125       0.40432689       0.19467880 
           0.70780106       0.43540454       0.51460754 
           0.76000818       0.09651907       0.35995853 
           0.66599059       0.10266578       0.64985386 
           0.50946416       0.18497435       0.33805227 
           0.39340778       0.15701077       0.66120802 
           0.55540340       0.48801949       0.10585039 
           0.58907222       0.57804410       0.43819954 
           0.82736107       0.69470825       0.25155969 
           0.84044095       0.71703981       0.58512741 
           0.65581385       0.73488705       0.10764237 
           0.64964688       0.82974203       0.41106208 
           0.89077156       0.94363133       0.28170435 
           0.88684837       0.97889403       0.59391673 
           0.98631004       0.83363935       0.18299732 
           0.93785770       0.82761878       0.48613885 
           0.72797815       0.90855618       0.19176448 
           0.69456130       0.90581696       0.51930867 
           0.77742389       0.62104417       0.35990818 
           0.66492562       0.56238166       0.64185196 
           0.52138949       0.68046478       0.33434763 
           0.43285721       0.58249499       0.67732978 
           0.57456154       0.35885627       0.68294709 
           0.53188572       0.25213124       0.57578578 
           0.80134462       0.77133679       0.69703040 
           0.11928776       0.37299625       0.67607159 
           0.18813222       0.64718731       0.63851797 
           0.10436011       0.11108441       0.10758289 
           0.20093315       0.29683989       0.07286230 
           0.09714831       0.61112357       0.10987785 
           0.21124710       0.78715004       0.07118095 
           0.59356484       0.08295519       0.10836020 
           0.69030830       0.26308820       0.07190317 
           0.59383515       0.58265749       0.10863221 
           0.69579701       0.76082226       0.07122648 
           0.61273599       0.22124905       0.55403643 
           0.08086512       0.01059452       0.62189997 
           0.74228453       0.84955720       0.69019986 
           0.15255709       0.27869379       0.67903202 
           0.14083613       0.60053757       0.66963013 
           0.42787992       0.62773853       0.71646386 
           0.57292285       0.50429241       0.68190086 
           0.55886906       0.57338381       0.75370032 
   
  
  
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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 
   
  
  
          0.12936001       0.12707095       0.38613678 
          0.37502916       0.12096950       0.30727252 
          0.30061299       0.08800799       0.60954293 
          0.10173922       0.39451442       0.14979727 
          0.09473506       0.37896852       0.46268817 
          0.35277848       0.36785642       0.22875046 
          0.34664843       0.34078124       0.53614084 
          0.13016532       0.62819541       0.38209491 
          0.38092200       0.62126540       0.30678303 
          0.33503143       0.58786494       0.61742157 
          0.11482588       0.89302910       0.14670428 
          0.08959717       0.87300063       0.46368491 
          0.36092991       0.86876015       0.22861580 
          0.34769964       0.83949072       0.53967011 
          0.62610530       0.17020636       0.38685071 
          0.87077614       0.09591928       0.30832215 
          0.81448438       0.12267084       0.61716114 
          0.59797580       0.36601673       0.14865933 
          0.60132886       0.42169615       0.46110653 
          0.84821151       0.34456471       0.22960816 
          0.84115134       0.35390067       0.53639597 
          0.63348400       0.67583219       0.38526671 
          0.87717359       0.60163606       0.30519621 
          0.80774196       0.65000298       0.64927961 
          0.60528239       0.86654234       0.14772172 
          0.59134905       0.92188836       0.46334700 
          0.85830910       0.84731633       0.22655655 
          0.84280714       0.85501164       0.54496219 
          0.96292449       0.38792948       0.65223283 
          0.54301734       0.22132524       0.64565115 
          0.07278184       0.01422776       0.10347441 
          0.08269641       0.02774648       0.43861071 
          0.30266803       0.23976772       0.26853675 
          0.28978509       0.18514406       0.55266406 
          0.15561173       0.26768700       0.10772360 
          0.15738147       0.27558061       0.41511175 
          0.41936805       0.48858713       0.26801417 
          0.36201158       0.43435680       0.59479190 
          0.46637980       0.30793384       0.18421408 
          0.44963902       0.37394445       0.48078337 
          0.22391306       0.43451777       0.19452908 
          0.20180098       0.40710227       0.51305907 
          0.26853760       0.06926821       0.35642250 
          0.15260941       0.06501616       0.64032791 
          0.01521115       0.14370917       0.33625456 
          0.89825787       0.22971603       0.65897261 
          0.05198622       0.51934634       0.10983762 
          0.07209763       0.52610229       0.43139521 
          0.30952091       0.74116691       0.26836029 
          0.38354866       0.68916245       0.56604132 
          0.16699990       0.76162831       0.10678214 
          0.14524289       0.77730060       0.41225328 
          0.42295244       0.99125844       0.26842785 
          0.37774011       0.94624731       0.59148836 
          0.47779752       0.80841372       0.18572168 
          0.44103873       0.86925215       0.48376608 
          0.23471872       0.93399348       0.19229974 
          0.18856500       0.85966048       0.51985974 
          0.27828143       0.57638095       0.35854998 
          0.02992778       0.64131874       0.32711390 
          0.91371349       0.53629909       0.67952541 
          0.55917099       0.98682644       0.10464310 
          0.57674831       0.07927366       0.44162964 
          0.81863636       0.19392961       0.25661864 
          0.78476604       0.20322044       0.55690734 
          0.65169796       0.23583937       0.10840622 
          0.66001516       0.32370644       0.41034090 
          0.88028318       0.44390359       0.28368792 
          0.92997658       0.42662028       0.58573753 
          0.97632229       0.32833722       0.18602470 
          0.94766171       0.32551065       0.48725507 
          0.71747125       0.40432689       0.19467880 
          0.70780106       0.43540454       0.51460754 
          0.76000818       0.09651907       0.35995853 
          0.66599059       0.10266578       0.64985386 
          0.50946416       0.18497435       0.33805227 
          0.39340778       0.15701077       0.66120802 
          0.55540340       0.48801949       0.10585039 
          0.58907222       0.57804410       0.43819954 
          0.82736107       0.69470825       0.25155969 
          0.84044095       0.71703981       0.58512741 
          0.65581385       0.73488705       0.10764237 
          0.64964688       0.82974203       0.41106208 
          0.89077156       0.94363133       0.28170435 
          0.88684837       0.97889403       0.59391673 
          0.98631004       0.83363935       0.18299732 
          0.93785770       0.82761878       0.48613885 
          0.72797815       0.90855618       0.19176448 
          0.69456130       0.90581696       0.51930867 
          0.77742389       0.62104417       0.35990818 
          0.66492562       0.56238166       0.64185196 
          0.52138949       0.68046478       0.33434763 
          0.43285721       0.58249499       0.67732978 
          0.57456154       0.35885627       0.68294709 
          0.53188572       0.25213124       0.57578578 
          0.80134462       0.77133679       0.69703040 
          0.11928776       0.37299625       0.67607159 
          0.18813222       0.64718731       0.63851797 
          0.10436011       0.11108441       0.10758289 
          0.20093315       0.29683989       0.07286230 
          0.09714831       0.61112357       0.10987785 
          0.21124710       0.78715004       0.07118095 
          0.59356484       0.08295519       0.10836020 
          0.69030830       0.26308820       0.07190317 
          0.59383515       0.58265749       0.10863221 
          0.69579701       0.76082226       0.07122648 
          0.61273599       0.22124905       0.55403643 
          0.08086512       0.01059452       0.62189997 
          0.74228453       0.84955720       0.69019986 
          0.15255709       0.27869379       0.67903202 
          0.14083613       0.60053757       0.66963013 
          0.42787992       0.62773853       0.71646386 
          0.57292285       0.50429241       0.68190086 
          0.55886906       0.57338381       0.75370032 
  
  
     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 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     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 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     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 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     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 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
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     T  T  T 
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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.22   26.23
      26.74   26.75
   
        473.81405041 
      49738.64102554 
     -79560.72841173 
       1709.30792675 
      26821.66247716 
     -26420.54417613 
          0.02921993 
      -1964.11028933 
      33391.18858154 
       4189.26040413 
       4189.23118419 
       4189.25066415 
   
  
  
      29.60   29.60
      29.60   29.60
   
       -411.00722804 
       -411.01861864 
       -411.01102491 
   
  
  
      28.37   28.37
      28.37   28.37
   
       -921.75578189 
       -921.78348937 
       -921.76501772 
   
  
  
      28.25   28.26
      28.26   28.26
   
       -934.05359271 
       -934.08100282 
       -934.06272941 
   
  
  
      28.72   28.72
      28.91   28.91
   
       -934.44520511 
       -934.47261321 
       -934.45434114 
   
  
  
      27.63   27.63
      28.30   28.30
   
       -829.76696574 
       -829.88776660 
       -829.80723269 
   
  
  
      30.66   30.66
      31.35   31.35
   
       -829.40692762 
       -829.50344954 
       -829.43910159 
   
  
  
      31.23   31.23
      31.89   31.88
   
       -829.36289043 
       -829.44585070 
       -829.39054385 
   
  
  
      31.52   31.54
      32.16   32.19
   
       -829.05977023 
       -829.14493311 
       -829.08815786 
   
  
  
      28.81   28.82
      29.61   29.62
   
       -829.07539824 
       -829.18680397 
       -829.11253349 
   
  
  
      31.78   31.79
      32.46   32.47
   
       -829.05430770 
       -829.16193193 
       -829.09018244 
   
  
  
      32.88   32.90
      33.60   33.63
   
       -829.05379658 
       -829.15162934 
       -829.08640750 
   
  
  
      28.79   28.83
      29.55   29.59
   
       -829.04774398 
       -829.14630744 
       -829.08059847 
   
  
  
      28.67   28.69
      29.41   29.44
   
       -829.04167168 
       -829.14478369 
       -829.07604235 
   
  
  
      29.21   29.23
      29.96   29.98
   
       -829.03729829 
       -829.15211245 
       -829.07556967 
   
  
  
      32.22   32.25
      32.93   32.96
   
       -829.02826983 
       -829.15093053 
       -829.06915673 
   
  
  
      28.02   28.05
      28.83   28.86
   
       -829.02965625 
       -829.15468639 
       -829.07133296 
   
  
  
      29.32   29.35
      30.19   30.22
   
       -829.02690768 
       -829.15251409 
       -829.06877648