vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:22 
 
 
  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 
    
   
   
           0.12205587       0.12880679       0.52540725 
           0.38135228       0.12352568       0.25757174 
           0.12091373       0.37096402       0.57663932 
           0.31719871       0.37441537       0.21539216 
           0.36953792       0.37507045       0.62095078 
           0.13121043       0.12398734       0.31189687 
           0.37070601       0.12512777       0.46972223 
           0.12489773       0.37392911       0.36256360 
           0.37000506       0.37244350       0.41434522 
           0.11790950       0.61471924       0.52556271 
           0.37861000       0.62485784       0.25849292 
           0.12443366       0.87111365       0.57454020 
           0.31344289       0.87342166       0.21685132 
           0.37759555       0.87339906       0.62381687 
           0.12945325       0.62567297       0.31309076 
           0.37264068       0.61774394       0.47092216 
           0.12795460       0.87591074       0.36528316 
           0.37959337       0.87294972       0.41699881 
           0.61980176       0.12677384       0.52215341 
           0.88353420       0.12617254       0.25743450 
           0.62007729       0.37272372       0.57714722 
           0.82172573       0.37574347       0.21537303 
           0.63165214       0.12554052       0.31092644 
           0.87259230       0.12336708       0.46847771 
           0.62303078       0.37335727       0.36350977 
           0.87484293       0.37370040       0.41392001 
           0.62314399       0.61859612       0.52390474 
           0.88122383       0.62430847       0.25841268 
           0.61583105       0.87491495       0.56946765 
           0.81613345       0.87480186       0.21784430 
           0.86728393       0.89956896       0.62523664 
           0.62927788       0.62202030       0.31157077 
           0.87106742       0.62417662       0.46794770 
           0.62653578       0.87462320       0.36198419 
           0.87541281       0.87434882       0.41453342 
           0.11909602       0.99642874       0.55076198 
           0.37939471       0.24824873       0.23029102 
           0.39826878       0.23659435       0.64726057 
           0.11678519       0.25335549       0.55284724 
           0.38082697       0.49886840       0.23096985 
           0.40025133       0.51071760       0.64880064 
           0.48731135       0.37218505       0.59277404 
           0.18224007       0.38454708       0.23324113 
           0.22946596       0.37741295       0.60572206 
           0.26010564       0.11989556       0.28602188 
           0.01338972       0.12760129       0.28064475 
           0.12166313       0.99868180       0.33708139 
           0.35819901       0.25148726       0.44233455 
           0.12635682       0.25014767       0.33625595 
           0.36021331       0.49898350       0.43927976 
           0.50179552       0.36977853       0.39095233 
           0.24821871       0.37172567       0.38766796 
           0.24937919       0.12279079       0.49929666 
           0.00076644       0.12372556       0.49346065 
           0.09070417       0.49654968       0.55678283 
           0.37965327       0.74981592       0.23119051 
           0.38502588       0.73256588       0.64828512 
           0.12137567       0.75203463       0.54799201 
           0.38378747       0.99796580       0.23032107 
           0.38327821       0.01744184       0.64551303 
           0.49900723       0.87384708       0.60175454 
           0.18208335       0.86619156       0.23740305 
           0.24429687       0.86927180       0.60289633 
           0.25835983       0.62780601       0.28729490 
           0.00712531       0.62321664       0.28398386 
           0.12639210       0.50102620       0.33814007 
           0.38460935       0.75040830       0.44680487 
           0.12572300       0.75040907       0.33914421 
           0.37720283       0.99350392       0.44626032 
           0.50133099       0.87738315       0.38766199 
           0.25156683       0.87773084       0.39174127 
           0.25005071       0.61076772       0.50038476 
           0.99999454       0.62407719       0.49232796 
           0.60561405       0.99707168       0.54066393 
           0.88716431       0.25176619       0.23058236 
           0.62285094       0.25611350       0.54468559 
           0.88504369       0.50205571       0.22921520 
           0.90902441       0.36157290       0.66975071 
           0.98125492       0.35857147       0.60842853 
           0.68754437       0.36368582       0.23446664 
           0.71829491       0.37727941       0.61685084 
           0.76044360       0.12496192       0.28488263 
           0.51072397       0.12551565       0.28106610 
           0.62741741       0.99769267       0.33511395 
           0.87351332       0.25145718       0.44243154 
           0.62679010       0.24984533       0.33696005 
           0.87391650       0.49685722       0.44143944 
           0.00113388       0.37178658       0.38911280 
           0.74733036       0.37377724       0.38890299 
           0.74651917       0.12266510       0.49465283 
           0.49844586       0.13391930       0.49386517 
           0.63723508       0.49944598       0.54927399 
           0.88241804       0.75191042       0.23255795 
           0.88196746       0.81434402       0.66077011 
           0.61015168       0.74835950       0.54276520 
           0.88633950       0.00018065       0.23049615 
           0.90025830       0.04028829       0.63309420 
           0.98821798       0.86388776       0.59798612 
           0.68471091       0.86837794       0.23881027 
           0.75663043       0.88735842       0.59013130 
           0.75598248       0.61740295       0.28476442 
           0.50763666       0.62229185       0.28249184 
           0.62224017       0.49756397       0.33757994 
           0.87352772       0.74850820       0.44149026 
           0.62786853       0.74972963       0.33635839 
           0.87464459       0.99876075       0.44232503 
           0.00704202       0.87710592       0.39221930 
           0.74974720       0.87569334       0.38800733 
           0.74611123       0.62238018       0.49495683 
           0.49726515       0.59589670       0.49762989 
           0.33037577       0.36670163       0.16495136 
           0.31282820       0.87337636       0.16615739 
           0.83159796       0.37171164       0.16486809 
           0.81544321       0.87294022       0.16711552 
           0.74607586       0.70411132       0.64425727 
           0.87802717       0.37242363       0.62850283 
           0.12310094       0.32463973       0.22598030 
           0.11837344       0.91891554       0.22791555 
           0.62553342       0.41929107       0.22569233 
           0.62211067       0.92210547       0.22945865 
           0.31371017       0.43785709       0.14960294 
           0.34430311       0.94161070       0.15246251 
           0.84843371       0.44555004       0.15159326 
           0.83552569       0.94561524       0.15329484 
           0.24768895       0.13386672       0.62301736 
           0.27493419       0.61625243       0.67976279 
           0.25675613       0.61708912       0.62110862 
           0.27816220       0.13201394       0.68065688 
           0.83202803       0.38935234       0.69240948 
           0.99014286       0.69874477       0.66076049 
           0.86277514       0.10428224       0.66092519 
           0.67307551       0.61559803       0.64885553 
           0.80144063       0.42069083       0.64231619 
           0.31942578       0.62688346       0.64875284 
           0.31658383       0.12319997       0.64861201 
   
  
  
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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 
   
  
  
          0.12205587       0.12880679       0.52540725 
          0.38135228       0.12352568       0.25757174 
          0.12091373       0.37096402       0.57663932 
          0.31719871       0.37441537       0.21539216 
          0.36953792       0.37507045       0.62095078 
          0.13121043       0.12398734       0.31189687 
          0.37070601       0.12512777       0.46972223 
          0.12489773       0.37392911       0.36256360 
          0.37000506       0.37244350       0.41434522 
          0.11790950       0.61471924       0.52556271 
          0.37861000       0.62485784       0.25849292 
          0.12443366       0.87111365       0.57454020 
          0.31344289       0.87342166       0.21685132 
          0.37759555       0.87339906       0.62381687 
          0.12945325       0.62567297       0.31309076 
          0.37264068       0.61774394       0.47092216 
          0.12795460       0.87591074       0.36528316 
          0.37959337       0.87294972       0.41699881 
          0.61980176       0.12677384       0.52215341 
          0.88353420       0.12617254       0.25743450 
          0.62007729       0.37272372       0.57714722 
          0.82172573       0.37574347       0.21537303 
          0.63165214       0.12554052       0.31092644 
          0.87259230       0.12336708       0.46847771 
          0.62303078       0.37335727       0.36350977 
          0.87484293       0.37370040       0.41392001 
          0.62314399       0.61859612       0.52390474 
          0.88122383       0.62430847       0.25841268 
          0.61583105       0.87491495       0.56946765 
          0.81613345       0.87480186       0.21784430 
          0.86728393       0.89956896       0.62523664 
          0.62927788       0.62202030       0.31157077 
          0.87106742       0.62417662       0.46794770 
          0.62653578       0.87462320       0.36198419 
          0.87541281       0.87434882       0.41453342 
          0.11909602       0.99642874       0.55076198 
          0.37939471       0.24824873       0.23029102 
          0.39826878       0.23659435       0.64726057 
          0.11678519       0.25335549       0.55284724 
          0.38082697       0.49886840       0.23096985 
          0.40025133       0.51071760       0.64880064 
          0.48731135       0.37218505       0.59277404 
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          0.31658383       0.12319997       0.64861201 
  
 
 
  
   
   
   
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