vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 04 22 
  14:22:14 
 
 
  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      0.32000000      0.77000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.80528913       0.00000000       0.00000000 
            0.00000000      11.80528913       0.00000000 
            0.00000000       0.00000000      50.00000000 
    
       6968.24257214 
    
            0.08470779       0.00000000       0.00000000 
            0.00000000       0.08470779       0.00000000 
            0.00000000       0.00000000       0.02000000 
    
   
   
           0.79811681       0.05587649       0.28415189 
           0.80071390       0.05237021       0.22346057 
           0.04182586       0.30229581       0.27467705 
           0.04049650       0.30478958       0.21662589 
           0.79102027       0.30300285       0.20306078 
           0.84396728       0.30949472       0.30731524 
           0.04969290       0.05108117       0.20157347 
           0.05028210       0.05457207       0.30200661 
           0.04985989       0.05052052       0.25179618 
           0.79413094       0.30207373       0.25472706 
           0.29939359       0.05433202       0.28379775 
           0.29904697       0.05157630       0.22325331 
           0.53717918       0.30345766       0.27669913 
           0.54104266       0.30208365       0.21779463 
           0.29346940       0.30357072       0.20291745 
           0.33314862       0.30027648       0.30799438 
           0.54986663       0.05020666       0.20277216 
           0.54877342       0.05563000       0.30327404 
           0.54980936       0.05116871       0.25330465 
           0.29422446       0.29989274       0.25502322 
           0.81010568       0.54939523       0.28245444 
           0.79249366       0.55253230       0.22356230 
           0.04886442       0.80108628       0.28231797 
           0.05057841       0.79931164       0.22206279 
           0.79748168       0.80140841       0.20336955 
           0.80200422       0.80132444       0.30447293 
           0.02125613       0.55471207       0.19658395 
           0.05083040       0.54899903       0.30050833 
           0.05253434       0.55208367       0.24926284 
           0.80000827       0.80310473       0.25370940 
           0.29443871       0.54781571       0.28588007 
           0.32041467       0.55123358       0.22872391 
           0.55112187       0.80118585       0.28473033 
           0.55034327       0.80126418       0.22457799 
           0.30151421       0.79977736       0.20301639 
           0.29858967       0.80182921       0.30342129 
           0.54473434       0.55276270       0.20439325 
           0.54209838       0.54612681       0.30804557 
           0.55614426       0.55418105       0.25615590 
           0.29916568       0.80222371       0.25347561 
           0.68995606       0.66563663       0.38489923 
           0.80972007       0.39977894       0.28088304 
           0.79259819       0.20101942       0.22626866 
           0.78935795       0.40220102       0.22672299 
           0.80416278       0.20643223       0.28304450 
           0.05234926       0.15351878       0.27725045 
           0.05032269       0.45172136       0.22169697 
           0.04957291       0.15828354       0.22389690 
           0.05356062       0.45119342       0.27570899 
           0.91113112       0.05167649       0.19548728 
           0.91456473       0.05710151       0.30970878 
           0.18609621       0.05341924       0.30909346 
           0.18791335       0.05028598       0.19530415 
           0.15942321       0.30233109       0.19403602 
           0.25106413       0.30003009       0.33217746 
           0.98483442       0.30422851       0.30549345 
           0.92621098       0.30372920       0.19376939 
           0.89894500       0.05590239       0.25217817 
           0.20097461       0.05322157       0.25203528 
           0.15017428       0.30214399       0.25246195 
           0.94657175       0.30248130       0.24961322 
           0.29851249       0.39770012       0.28215381 
           0.29682376       0.20169860       0.22609805 
           0.29559451       0.40642864       0.22607221 
           0.30022516       0.20321684       0.28201036 
           0.54988455       0.15400257       0.27857035 
           0.54845753       0.44487505       0.22631308 
           0.54914063       0.15782142       0.22529015 
           0.55412146       0.45065194       0.28106895 
           0.41241196       0.05047897       0.19612971 
           0.41195762       0.05583460       0.31021244 
           0.68533104       0.05743841       0.31027700 
           0.68673131       0.05056220       0.19600699 
           0.65542974       0.30189415       0.19434259 
           0.77257002       0.33389358       0.33245126 
           0.47313896       0.29991098       0.30681661 
           0.42996409       0.30401327       0.19428777 
           0.39834615       0.05456762       0.25299434 
           0.70142530       0.05514565       0.25365938 
           0.64849169       0.30222530       0.25501754 
           0.44314164       0.30306310       0.25125528 
           0.80146477       0.90593182       0.28046237 
           0.79466019       0.70158062       0.22725841 
           0.79857774       0.90461225       0.22670920 
           0.80127028       0.69989021       0.28006778 
           0.05213656       0.65250620       0.27757305 
           0.04934041       0.95003703       0.22537891 
           0.05252769       0.64946093       0.22279058 
           0.04882635       0.95075522       0.27878523 
           0.88357896       0.55264255       0.19730324 
           0.91798415       0.54761282       0.30862624 
           0.18302072       0.54827277       0.30959125 
           0.11034553       0.55369426       0.17369955 
           0.16535113       0.80142011       0.19595601 
           0.16115334       0.80182895       0.30959907 
           0.94185260       0.80083810       0.30898317 
           0.93442367       0.80016481       0.19601489 
           0.89958857       0.55104080       0.25174048 
           0.20553959       0.54979817       0.25225060 
           0.14859355       0.80121589       0.25219770 
           0.95114290       0.80057206       0.25232308 
           0.29920640       0.90500348       0.27985695 
           0.30006797       0.69661578       0.22669864 
           0.30206713       0.90232600       0.22646398 
           0.29783201       0.69880356       0.27991787 
           0.55325214       0.65094128       0.28313057 
           0.55012842       0.95117095       0.22704246 
           0.54928881       0.65118932       0.22863187 
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           0.43561555       0.80245148       0.31055505 
           0.43980415       0.79799903       0.19705151 
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           0.70275535       0.54978198       0.25383533 
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           0.45064151       0.80004188       0.25387694 
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           0.43708918       0.38592410       0.85304915 
           0.33015349       0.40464811       0.83350080 
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           0.56968567       0.53034332       0.81487540 
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           0.35170206       0.54577674       0.78189011 
           0.49355733       0.42021847       0.76074949 
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           0.47960514       0.65280204       0.73578716 
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           0.51937648       0.41994906       0.71058701 
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           0.50600671       0.65240758       0.68554412 
           0.40346467       0.54474401       0.68173646 
           0.54616206       0.41851643       0.66083710 
           0.64782393       0.52708599       0.66433725 
           0.53193741       0.64905537       0.63494380 
           0.42893510       0.54153900       0.63181756 
           0.57041065       0.41320567       0.61108067 
           0.67226184       0.52203461       0.61373797 
           0.55344237       0.64217817       0.58446608 
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           0.59243384       0.40645950       0.56075470 
           0.69436974       0.51541894       0.56327511 
           0.56868658       0.63718594       0.53496400 
           0.47330364       0.52331230       0.53105074 
           0.62324669       0.40927450       0.50939477 
           0.71940586       0.52217006       0.51388040 
           0.58481706       0.64470635       0.48679994 
           0.50274353       0.52399519       0.47957736 
           0.66829699       0.43454428       0.45794550 
           0.75243310       0.55232354       0.46636739 
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           0.62317937       0.58379142       0.43613742 
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           0.50220018       0.60915943       0.37272376 
           0.66497919       0.81889768       0.40028618 
           0.83107144       0.78117998       0.36421333 
   
  
  
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          2        2        1 
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         0.00000000       0.50000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          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
      478
       -1
       -1
       775.00000000
        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  
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
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         -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
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          0.10000000
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          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       60
       60
      250
      120
      120
      500
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000     35.45300000
         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
        23.22747524
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
       180 
         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
    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
    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
    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
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      41Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      38H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
      18C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       3Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          11.80528913       0.00000000       0.00000000 
           0.00000000      11.80528913       0.00000000 
           0.00000000       0.00000000      50.00000000 
   
      6968.24257214 
   
           0.08470779       0.00000000       0.00000000 
           0.00000000       0.08470779       0.00000000 
           0.00000000       0.00000000       0.02000000 
   
  
  
          0.79811681       0.05587649       0.28415189 
          0.80071390       0.05237021       0.22346057 
          0.04182586       0.30229581       0.27467705 
          0.04049650       0.30478958       0.21662589 
          0.79102027       0.30300285       0.20306078 
          0.84396728       0.30949472       0.30731524 
          0.04969290       0.05108117       0.20157347 
          0.05028210       0.05457207       0.30200661 
          0.04985989       0.05052052       0.25179618 
          0.79413094       0.30207373       0.25472706 
          0.29939359       0.05433202       0.28379775 
          0.29904697       0.05157630       0.22325331 
          0.53717918       0.30345766       0.27669913 
          0.54104266       0.30208365       0.21779463 
          0.29346940       0.30357072       0.20291745 
          0.33314862       0.30027648       0.30799438 
          0.54986663       0.05020666       0.20277216 
          0.54877342       0.05563000       0.30327404 
          0.54980936       0.05116871       0.25330465 
          0.29422446       0.29989274       0.25502322 
          0.81010568       0.54939523       0.28245444 
          0.79249366       0.55253230       0.22356230 
          0.04886442       0.80108628       0.28231797 
          0.05057841       0.79931164       0.22206279 
          0.79748168       0.80140841       0.20336955 
          0.80200422       0.80132444       0.30447293 
          0.02125613       0.55471207       0.19658395 
          0.05083040       0.54899903       0.30050833 
          0.05253434       0.55208367       0.24926284 
          0.80000827       0.80310473       0.25370940 
          0.29443871       0.54781571       0.28588007 
          0.32041467       0.55123358       0.22872391 
          0.55112187       0.80118585       0.28473033 
          0.55034327       0.80126418       0.22457799 
          0.30151421       0.79977736       0.20301639 
          0.29858967       0.80182921       0.30342129 
          0.54473434       0.55276270       0.20439325 
          0.54209838       0.54612681       0.30804557 
          0.55614426       0.55418105       0.25615590 
          0.29916568       0.80222371       0.25347561 
          0.68995606       0.66563663       0.38489923 
          0.80972007       0.39977894       0.28088304 
          0.79259819       0.20101942       0.22626866 
          0.78935795       0.40220102       0.22672299 
          0.80416278       0.20643223       0.28304450 
          0.05234926       0.15351878       0.27725045 
          0.05032269       0.45172136       0.22169697 
          0.04957291       0.15828354       0.22389690 
          0.05356062       0.45119342       0.27570899 
          0.91113112       0.05167649       0.19548728 
          0.91456473       0.05710151       0.30970878 
          0.18609621       0.05341924       0.30909346 
          0.18791335       0.05028598       0.19530415 
          0.15942321       0.30233109       0.19403602 
          0.25106413       0.30003009       0.33217746 
          0.98483442       0.30422851       0.30549345 
          0.92621098       0.30372920       0.19376939 
          0.89894500       0.05590239       0.25217817 
          0.20097461       0.05322157       0.25203528 
          0.15017428       0.30214399       0.25246195 
          0.94657175       0.30248130       0.24961322 
          0.29851249       0.39770012       0.28215381 
          0.29682376       0.20169860       0.22609805 
          0.29559451       0.40642864       0.22607221 
          0.30022516       0.20321684       0.28201036 
          0.54988455       0.15400257       0.27857035 
          0.54845753       0.44487505       0.22631308 
          0.54914063       0.15782142       0.22529015 
          0.55412146       0.45065194       0.28106895 
          0.41241196       0.05047897       0.19612971 
          0.41195762       0.05583460       0.31021244 
          0.68533104       0.05743841       0.31027700 
          0.68673131       0.05056220       0.19600699 
          0.65542974       0.30189415       0.19434259 
          0.77257002       0.33389358       0.33245126 
          0.47313896       0.29991098       0.30681661 
          0.42996409       0.30401327       0.19428777 
          0.39834615       0.05456762       0.25299434 
          0.70142530       0.05514565       0.25365938 
          0.64849169       0.30222530       0.25501754 
          0.44314164       0.30306310       0.25125528 
          0.80146477       0.90593182       0.28046237 
          0.79466019       0.70158062       0.22725841 
          0.79857774       0.90461225       0.22670920 
          0.80127028       0.69989021       0.28006778 
          0.05213656       0.65250620       0.27757305 
          0.04934041       0.95003703       0.22537891 
          0.05252769       0.64946093       0.22279058 
          0.04882635       0.95075522       0.27878523 
          0.88357896       0.55264255       0.19730324 
          0.91798415       0.54761282       0.30862624 
          0.18302072       0.54827277       0.30959125 
          0.11034553       0.55369426       0.17369955 
          0.16535113       0.80142011       0.19595601 
          0.16115334       0.80182895       0.30959907 
          0.94185260       0.80083810       0.30898317 
          0.93442367       0.80016481       0.19601489 
          0.89958857       0.55104080       0.25174048 
          0.20553959       0.54979817       0.25225060 
          0.14859355       0.80121589       0.25219770 
          0.95114290       0.80057206       0.25232308 
          0.29920640       0.90500348       0.27985695 
          0.30006797       0.69661578       0.22669864 
          0.30206713       0.90232600       0.22646398 
          0.29783201       0.69880356       0.27991787 
          0.55325214       0.65094128       0.28313057 
          0.55012842       0.95117095       0.22704246 
          0.54928881       0.65118932       0.22863187 
          0.54879308       0.95070891       0.28036612 
          0.40512358       0.55281034       0.19891410 
          0.39886599       0.54891184       0.30996029 
          0.70072949       0.54479473       0.31054843 
          0.67689438       0.55432316       0.19571815 
          0.65918392       0.80210342       0.19716515 
          0.66286128       0.80369323       0.31036895 
          0.43561555       0.80245148       0.31055505 
          0.43980415       0.79799903       0.19705151 
          0.40526283       0.54823758       0.25543371 
          0.70275535       0.54978198       0.25383533 
          0.64782765       0.80191362       0.25421777 
          0.45064151       0.80004188       0.25387694 
          0.66950627       0.47275805       0.33082720 
          0.43708918       0.38592410       0.85304915 
          0.33015349       0.40464811       0.83350080 
          0.42690813       0.65588854       0.83670115 
          0.46733228       0.42241253       0.81105769 
          0.56968567       0.53034332       0.81487540 
          0.45402238       0.65378571       0.78560966 
          0.35170206       0.54577674       0.78189011 
          0.49355733       0.42021847       0.76074949 
          0.59610674       0.52792532       0.76457923 
          0.47960514       0.65280204       0.73578716 
          0.37738842       0.54485530       0.73191990 
          0.51937648       0.41994906       0.71058701 
          0.62172543       0.52770712       0.71449899 
          0.50600671       0.65240758       0.68554412 
          0.40346467       0.54474401       0.68173646 
          0.54616206       0.41851643       0.66083710 
          0.64782393       0.52708599       0.66433725 
          0.53193741       0.64905537       0.63494380 
          0.42893510       0.54153900       0.63181756 
          0.57041065       0.41320567       0.61108067 
          0.67226184       0.52203461       0.61373797 
          0.55344237       0.64217817       0.58446608 
          0.45134452       0.53355561       0.58187272 
          0.59243384       0.40645950       0.56075470 
          0.69436974       0.51541894       0.56327511 
          0.56868658       0.63718594       0.53496400 
          0.47330364       0.52331230       0.53105074 
          0.62324669       0.40927450       0.50939477 
          0.71940586       0.52217006       0.51388040 
          0.58481706       0.64470635       0.48679994 
          0.50274353       0.52399519       0.47957736 
          0.66829699       0.43454428       0.45794550 
          0.75243310       0.55232354       0.46636739 
          0.61337381       0.67452287       0.44031972 
          0.54228818       0.55202397       0.42973390 
          0.71572186       0.48696674       0.40447793 
          0.79356439       0.58947274       0.42254648 
          0.41392699       0.56041718       0.83377161 
          0.47796761       0.51356040       0.81210930 
          0.44173831       0.56260881       0.78489136 
          0.50569616       0.51211361       0.76150426 
          0.46798954       0.56067672       0.73500785 
          0.53102802       0.51210833       0.71138466 
          0.49424692       0.56018624       0.68483079 
          0.55710199       0.51086717       0.66133007 
          0.51994193       0.55682762       0.63462613 
          0.58134339       0.50560875       0.61113736 
          0.54236368       0.54982441       0.58441428 
          0.60340294       0.49891348       0.56078772 
          0.56294374       0.54432631       0.53427283 
          0.62974407       0.50205948       0.51052566 
          0.58880612       0.55211794       0.48452973 
          0.66607080       0.52636807       0.46125833 
          0.62317937       0.58379142       0.43613742 
          0.70611139       0.56790422       0.41428926 
          0.50220018       0.60915943       0.37272376 
          0.66497919       0.81889768       0.40028618 
          0.83107144       0.78117998       0.36421333 
  
 
 
  
      93.93   93.88
     100.24  100.18
   
        305.90992082 
     725989.48099817 
    -761806.08447233 
       2281.76473974 
      34347.35048480 
     -33780.84744713 
         -0.00133320 
      -3052.38774098 
      43158.38024591 
       7443.56539579 
       7443.56672899 
       7443.56584019 
   
  
  
     106.83  106.78
     106.83  106.78
   
        217.16224562 
        217.20420617 
        217.17623247 
   
  
  
      94.95   94.91
      94.96   94.92
   
      -1283.45909055 
      -1283.42752681 
      -1283.44856930 
   
  
  
      95.17   95.13
      95.17   95.14
   
      -1336.52334801 
      -1336.48790084 
      -1336.51153228 
   
  
  
     100.44  100.39
     101.83  101.78
   
      -1338.17946161 
      -1338.14394568 
      -1338.16762296 
   
  
  
      94.35   94.30
     103.17  103.10
   
      -1204.45836213 
      -1204.40357698 
      -1204.44010041 
   
  
  
      94.74   94.68
     104.14  104.07
   
      -1199.99842509 
      -1199.94623085 
      -1199.98102701 
   
  
  
     101.91  101.86
     111.43  111.37
   
      -1197.26244705 
      -1197.20723171 
      -1197.24404194 
   
  
  
      93.85   93.80
     101.97  101.92
   
      -1191.02014354 
      -1190.95734820 
      -1190.99921176 
   
  
  
      93.53   93.48
     101.98  101.93
   
      -1191.37395585 
      -1191.30388643 
      -1191.35059938 
   
  
  
     108.46  108.40
     116.75  116.68
   
      -1191.76401094 
      -1191.70043105 
      -1191.74281764 
   
  
  
      94.54   94.49
     104.02  103.97
   
      -1190.65114502 
      -1190.62741182 
      -1190.64323395 
   
  
  
      99.07   99.02
     107.28  107.23
   
      -1190.35339681 
      -1190.30795638 
      -1190.33825000 
   
  
  
      93.70   93.65
     102.15  102.09
   
      -1190.24314588 
      -1190.19324699 
      -1190.22651292 
   
  
  
      91.90   91.85
     101.01  100.95
   
      -1190.22564207 
      -1190.16111556 
      -1190.20413323 
   
  
  
     103.10  103.04
     111.83  111.77
   
      -1190.14279832 
      -1190.02781211 
      -1190.10446958 
   
  
  
      97.71   97.66
     106.20  106.14
   
      -1190.11803055 
      -1189.97178794 
      -1190.06928301 
   
  
  
      96.87   96.83
     107.04  106.99
   
      -1190.28100519 
      -1190.26255882 
      -1190.27485640 
   
  
  
      97.48   97.44
     107.42  107.37
   
      -1190.08942579 
      -1189.99091220 
      -1190.05658793 
   
  
  
      99.21   99.16
     109.82  109.76
   
      -1190.11014572 
      -1189.96049291 
      -1190.06026145 
   
  
  
      95.84   95.80
     107.45  107.40
   
      -1190.10315751 
      -1190.01332485 
      -1190.07321329 
   
  
  
     100.02   99.97
     110.95  110.89
   
      -1190.10124135 
      -1189.99784549 
      -1190.06677607 
   
  
  
      94.46   94.43
     105.22  105.18
   
      -1190.09519423 
      -1189.99467818 
      -1190.06168888 
   
  
  
      94.22   94.19
     105.02  104.98
   
      -1190.09715959 
      -1189.98621049 
      -1190.06017656 
   
  
  
      95.05   95.00
     104.55  104.49
   
      -1190.10605423 
      -1189.98915270 
      -1190.06708705 
   
  
  
      96.67   96.61
     105.90  105.83
   
      -1190.11685073 
      -1189.98725347 
      -1190.07365164 
   
  
  
      92.57   92.51
     101.47  101.40
   
      -1190.11616810 
      -1189.99009777 
      -1190.07414466 
   
  
  
      93.50   93.44
     102.03  101.96
   
      -1190.11821993 
      -1189.99181230 
      -1190.07608405 
   
  
  
      90.02   89.96
      99.23   99.17
   
      -1190.11770048 
      -1189.99509048 
      -1190.07683048 
   
  
  
      89.43   89.37
      99.14   99.07
   
      -1190.12061287 
      -1190.00187656 
      -1190.08103410 
   
  
  
      95.20   95.15
     105.30  105.24
   
      -1190.12168551 
      -1190.00260990 
      -1190.08199364 
   
  
  
      81.37   81.33
      92.17   92.11
   
      -1190.12248554 
      -1190.00363502 
      -1190.08286870 
   
  
  
      71.19   71.15
      80.02   79.97
   
      -1190.12292375 
      -1190.00281771 
      -1190.08288840 
   
  
  
      83.50   83.44
      95.73   95.65
   
      -1190.12349872 
      -1190.00388717 
      -1190.08362821 
   
  
  
      67.83   67.77
      79.71   79.63
   
      -1190.12371806 
      -1190.00441381 
      -1190.08394998 
   
  
  
      63.78   63.73
      74.36   74.29
   
      -1190.12390470 
      -1190.00481380 
      -1190.08420773 
   
  
  
      63.52   63.44
      76.45   76.36
   
      -1190.12399132 
      -1190.00469554 
      -1190.08422606 
   
  
  
      65.07   65.01
      78.03   77.94
   
      -1190.12403438 
      -1190.00481672 
      -1190.08429516 
   
  
  
      63.60   63.54
      76.98   76.90
   
      -1190.12405678 
      -1190.00481891 
      -1190.08431082 
   
  
  
      61.78   61.70
      74.93   74.83
   
      -1190.12406687 
      -1190.00483510 
      -1190.08432295 
   
  
  
      63.99   63.91
      73.12   73.03
   
        305.90992082 
     725989.48099817 
    -764515.82540716 
       2406.24641635 
      88103.71739071 
     -87559.56707733 
         -0.11922601 
      -9078.34733456 
      43158.38024591 
      -1190.12407310 
      -1190.00484709 
      -1190.08433110 
   
  
  
   
    
           11.80528913       0.00000000       0.00000000 
            0.00000000      11.80528913       0.00000000 
            0.00000000       0.00000000      50.00000000 
    
       6968.24257214 
    
            0.08470779       0.00000000       0.00000000 
            0.00000000       0.08470779       0.00000000 
            0.00000000       0.00000000       0.02000000 
    
   
   
           0.79811681       0.05587649       0.28415189 
           0.80071390       0.05237021       0.22346057 
           0.04182586       0.30229581       0.27467705 
           0.04049650       0.30478958       0.21662589 
           0.79102027       0.30300285       0.20306078 
           0.84396728       0.30949472       0.30731524 
           0.04969290       0.05108117       0.20157347 
           0.05028210       0.05457207       0.30200661 
           0.04985989       0.05052052       0.25179618 
           0.79413094       0.30207373       0.25472706 
           0.29939359       0.05433202       0.28379775 
           0.29904697       0.05157630       0.22325331 
           0.53717918       0.30345766       0.27669913 
           0.54104266       0.30208365       0.21779463 
           0.29346940       0.30357072       0.20291745 
           0.33314862       0.30027648       0.30799438 
           0.54986663       0.05020666       0.20277216 
           0.54877342       0.05563000       0.30327404 
           0.54980936       0.05116871       0.25330465 
           0.29422446       0.29989274       0.25502322 
           0.81010568       0.54939523       0.28245444 
           0.79249366       0.55253230       0.22356230 
           0.04886442       0.80108628       0.28231797 
           0.05057841       0.79931164       0.22206279 
           0.79748168       0.80140841       0.20336955 
           0.80200422       0.80132444       0.30447293 
           0.02125613       0.55471207       0.19658395 
           0.05083040       0.54899903       0.30050833 
           0.05253434       0.55208367       0.24926284 
           0.80000827       0.80310473       0.25370940 
           0.29443871       0.54781571       0.28588007 
           0.32041467       0.55123358       0.22872391 
           0.55112187       0.80118585       0.28473033 
           0.55034327       0.80126418       0.22457799 
           0.30151421       0.79977736       0.20301639 
           0.29858967       0.80182921       0.30342129 
           0.54473434       0.55276270       0.20439325 
           0.54209838       0.54612681       0.30804557 
           0.55614426       0.55418105       0.25615590 
           0.29916568       0.80222371       0.25347561 
           0.68995606       0.66563663       0.38489923 
           0.80972007       0.39977894       0.28088304 
           0.79259819       0.20101942       0.22626866 
           0.78935795       0.40220102       0.22672299 
           0.80416278       0.20643223       0.28304450 
           0.05234926       0.15351878       0.27725045 
           0.05032269       0.45172136       0.22169697 
           0.04957291       0.15828354       0.22389690 
           0.05356062       0.45119342       0.27570899 
           0.91113112       0.05167649       0.19548728 
           0.91456473       0.05710151       0.30970878 
           0.18609621       0.05341924       0.30909346 
           0.18791335       0.05028598       0.19530415 
           0.15942321       0.30233109       0.19403602 
           0.25106413       0.30003009       0.33217746 
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           0.92621098       0.30372920       0.19376939 
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           0.20097461       0.05322157       0.25203528 
           0.15017428       0.30214399       0.25246195 
           0.94657175       0.30248130       0.24961322 
           0.29851249       0.39770012       0.28215381 
           0.29682376       0.20169860       0.22609805 
           0.29559451       0.40642864       0.22607221 
           0.30022516       0.20321684       0.28201036 
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           0.54914063       0.15782142       0.22529015 
           0.55412146       0.45065194       0.28106895 
           0.41241196       0.05047897       0.19612971 
           0.41195762       0.05583460       0.31021244 
           0.68533104       0.05743841       0.31027700 
           0.68673131       0.05056220       0.19600699 
           0.65542974       0.30189415       0.19434259 
           0.77257002       0.33389358       0.33245126 
           0.47313896       0.29991098       0.30681661 
           0.42996409       0.30401327       0.19428777 
           0.39834615       0.05456762       0.25299434 
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           0.64849169       0.30222530       0.25501754 
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           0.80146477       0.90593182       0.28046237 
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           0.80127028       0.69989021       0.28006778 
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           0.05252769       0.64946093       0.22279058 
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           0.66950627       0.47275805       0.33082720 
           0.43708918       0.38592410       0.85304915 
           0.33015349       0.40464811       0.83350080 
           0.42690813       0.65588854       0.83670115 
           0.46733228       0.42241253       0.81105769 
           0.56968567       0.53034332       0.81487540 
           0.45402238       0.65378571       0.78560966 
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           0.49355733       0.42021847       0.76074949 
           0.59610674       0.52792532       0.76457923 
           0.47960514       0.65280204       0.73578716 
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           0.62172543       0.52770712       0.71449899 
           0.50600671       0.65240758       0.68554412 
           0.40346467       0.54474401       0.68173646 
           0.54616206       0.41851643       0.66083710 
           0.64782393       0.52708599       0.66433725 
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           0.42893510       0.54153900       0.63181756 
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           0.69436974       0.51541894       0.56327511 
           0.56868658       0.63718594       0.53496400 
           0.47330364       0.52331230       0.53105074 
           0.62324669       0.40927450       0.50939477 
           0.71940586       0.52217006       0.51388040 
           0.58481706       0.64470635       0.48679994 
           0.50274353       0.52399519       0.47957736 
           0.66829699       0.43454428       0.45794550 
           0.75243310       0.55232354       0.46636739 
           0.61337381       0.67452287       0.44031972 
           0.54228818       0.55202397       0.42973390 
           0.71572186       0.48696674       0.40447793 
           0.79356439       0.58947274       0.42254648 
           0.41392699       0.56041718       0.83377161 
           0.47796761       0.51356040       0.81210930 
           0.44173831       0.56260881       0.78489136 
           0.50569616       0.51211361       0.76150426 
           0.46798954       0.56067672       0.73500785 
           0.53102802       0.51210833       0.71138466 
           0.49424692       0.56018624       0.68483079 
           0.55710199       0.51086717       0.66133007 
           0.51994193       0.55682762       0.63462613 
           0.58134339       0.50560875       0.61113736 
           0.54236368       0.54982441       0.58441428 
           0.60340294       0.49891348       0.56078772 
           0.56294374       0.54432631       0.53427283 
           0.62974407       0.50205948       0.51052566 
           0.58880612       0.55211794       0.48452973 
           0.66607080       0.52636807       0.46125833 
           0.62317937       0.58379142       0.43613742 
           0.70611139       0.56790422       0.41428926 
           0.50220018       0.60915943       0.37272376 
           0.66497919       0.81889768       0.40028618 
           0.83107144       0.78117998       0.36421333 
   
  
  
          0.01633372      -0.01103409       0.00090021 
          0.00378709      -0.01782270      -0.00527373 
         -0.10048638      -0.01903826      -0.12552240 
          0.19084144      -0.03921275      -0.12977579 
         -0.04477327      -0.03864605      -0.04924209 
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          0.03071460      -0.00108152      -0.02303006 
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         -0.11811010      -0.13623082      -0.14044046 
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         -0.00564106       0.00361663       0.00968341 
          0.04295805      -0.05787801      -0.16580876 
         -0.05456048      -0.01149752      -0.02084521 
         -0.01252411       0.07639260       0.02681281 
         -1.05899195       0.04096541       1.31928840 
         -0.03542880       0.00552599      -0.03287093 
         -0.06388748      -0.00622336      -0.04942904 
         -0.03051653      -0.02302765      -0.07379822 
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         -0.07037950       0.01538206       0.09932117 
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          0.01426978      -0.02974651      -0.00345270 
         -0.01747337       0.00626895       0.01935251 
         -0.07594754      -0.04398818       0.06030820 
          0.81434588      -0.00243450      -0.60171080 
         -0.29616467       0.05122209      -0.06224714 
         -0.00396910       0.01580597       0.03691449 
         -0.02232492       0.01274209       0.00703982 
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         -0.00878746       0.00536068      -0.01319721 
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         -0.27308497      -0.14621272       0.33318557 
          0.24365724      -0.00702500      -0.04312079 
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         -0.00157119       0.00513951      -0.00299415 
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         -0.00946460      -0.02215851       0.06867196 
         -0.00678413       0.01158877       0.03392342 
         -0.04532033      -0.14479976       0.32905100 
         -0.01789016      -0.00749697       0.02772422 
         -0.00886298      -0.02356110       0.03921920 
         -0.04166982      -0.01887781       0.08682897 
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         -0.17194448      -0.01513125       0.06047592 
         -0.33703123      -0.00914531       0.03945883 
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         -0.75851011      -0.00093828       0.51564256 
         -0.05404718       0.03786158       0.02142334 
         -0.00439479      -0.00460772       0.04080916 
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         -0.00289554      -0.01836311       0.00964441 
         -0.04815268      -0.03791540       0.05997544 
          0.00757944      -0.00419550      -0.01691209 
         -0.02749600      -0.00419942       0.01759541 
         -0.02322494      -0.00876128       0.00833693 
          0.00199470       0.00839503       0.03218860 
         -0.02245172      -0.01808676      -0.03560314 
          0.00875962       0.02155721       0.01595197 
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         -0.04360464      -0.02570040      -0.05719615 
         -0.00000479      -0.00606275       0.04132417 
         -0.00338783       0.00101699       0.07126910 
         -0.00070191      -0.00097223       0.00389019 
          0.05808095      -0.00984233       0.09246246 
          0.26402957      -0.03145170      -0.08724161 
         -1.43963699      -0.49469844       1.60071139 
         -0.03121769      -0.00420994      -0.01433179 
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         -0.01899820      -0.03237503      -0.03372299 
          0.00872502       0.01551617       0.00273857 
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          0.01243241      -0.01228379       0.00981831 
         -0.00097596      -0.00410333      -0.00714078 
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         -2.01493465      -0.13287275      -1.27084655 
          2.10138992       0.40310181       2.34063994 
         -0.01092639      -0.98749217       0.53255299 
          0.22484640      -0.49137737      -0.00782095 
          0.21139134       0.05022953      -0.23210022 
         -0.06234916       0.55656814      -0.18958090 
         -0.38707738       0.09952749       0.10735980 
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          0.35430966      -0.06136597      -0.08809388 
         -0.06035411       0.28123348      -0.14930562 
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         -0.05496896       0.25372700      -0.15564368 
         -0.28023695       0.06832665       0.11190677 
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         -0.09394010       0.23922164      -0.08601915 
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         -0.86694909      -0.31241944       0.03533554 
         -0.23171431      -1.02076550       0.27226447 
         -0.67043537      -0.23309952      -0.55125817 
         -1.50361580       0.82856350      -0.77301704 
          1.17076437      -0.44453141      -0.28553711 
         -0.25049132       0.25894288       0.07588972 
          0.17269691      -0.17378012       0.15019307 
         -0.18552183       0.18340931       0.01352139 
          0.20735935      -0.19426614       0.05453595 
         -0.22995688       0.20585299      -0.00471172 
          0.26845310      -0.21513443       0.02452201 
         -0.27631062       0.21437070      -0.01496688 
          0.27181909      -0.22202476       0.02537550 
         -0.24122678       0.20837268      -0.03413854 
          0.14105666      -0.22512859       0.07818551 
         -0.07977065       0.24658475      -0.05213352 
         -0.07684204      -0.32298916       0.14552353 
          0.09794631       0.38754083      -0.01716729 
         -0.35378460      -0.51496642       0.08282798 
         -0.03942805       0.48958612       0.17462657 
          3.20046484       0.44526683      -0.98237729 
          2.14597878       0.57043078      -0.09404339 
         -1.83096162       1.47960124       1.69180895 
          0.01601115      -2.11774958      -1.27747266 
  
  
        -39.32707752      -1.90102858      -1.38968192 
         -1.90102863       0.72412957      -0.12327812 
         -1.38968195      -0.12327812     -10.43250906 
  
  
     -1190.12407310 
     -1190.00484709 
     -1190.08433110 
  
   4135.16 4132.46
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -26.2866    1.0000 
         -25.8591    1.0000 
         -25.7636    1.0000 
         -25.7340    1.0000 
         -25.7017    1.0000 
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         -23.3523    1.0000 
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         -21.6100    1.0000 
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         -17.7916    1.0000 
         -17.6674    1.0000 
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