vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 04 22 
  14:22:16 
 
 
  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 
    
   
   
           0.85152042       0.04198324       0.29820260 
           0.85105615       0.04100429       0.23770774 
           0.11568831       0.29014457       0.29570527 
           0.08778319       0.29085046       0.23571495 
           0.84329654       0.29041983       0.21791149 
           0.89481900       0.29082303       0.32175241 
           0.10009986       0.04029308       0.21657228 
           0.10266186       0.04090757       0.31755340 
           0.10112663       0.04053002       0.26701504 
           0.84846683       0.29028606       0.26971526 
           0.34970860       0.04083289       0.29668711 
           0.35091971       0.03960368       0.23669393 
           0.58541397       0.29030227       0.28999129 
           0.58826626       0.29025023       0.23035751 
           0.33950848       0.29052761       0.21526958 
           0.36915742       0.29007041       0.31714401 
           0.60211541       0.03893766       0.21615368 
           0.59849068       0.04221350       0.31712068 
           0.60105572       0.03991613       0.26677868 
           0.34672271       0.28985071       0.26613760 
           0.85256169       0.53854843       0.29789907 
           0.84985863       0.53963096       0.23769743 
           0.10050487       0.79031577       0.29696860 
           0.10134255       0.78974870       0.23713007 
           0.85050938       0.79017769       0.21734164 
           0.85137604       0.79043940       0.31813689 
           0.09462869       0.54058645       0.21577802 
           0.10337383       0.53973837       0.31715189 
           0.10144715       0.53984857       0.26653632 
           0.85105069       0.79045631       0.26776489 
           0.34905263       0.53966906       0.29701861 
           0.35501540       0.54079951       0.23763231 
           0.60172601       0.79023431       0.29738523 
           0.60081663       0.79019778       0.23744714 
           0.35078143       0.78995575       0.21628942 
           0.35090039       0.79053564       0.31722556 
           0.60136275       0.54144560       0.21644879 
           0.59866423       0.53806771       0.31771525 
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           0.35092799       0.79053331       0.26684328 
           0.82563465       0.33292300       0.38308580 
           0.85485089       0.38773662       0.29807798 
           0.84368868       0.18955074       0.24139580 
           0.84307396       0.39092873       0.24147955 
           0.85402034       0.19312870       0.29838289 
           0.10576555       0.14210557       0.29324254 
           0.10008993       0.43771739       0.23978576 
           0.10013578       0.14362342       0.24005627 
           0.10599493       0.43868970       0.29305428 
           0.96161089       0.04160805       0.21056171 
           0.96571682       0.04289000       0.32436943 
           0.24078808       0.04060626       0.32347264 
           0.23781215       0.03964256       0.20978178 
           0.20324553       0.29014371       0.20895049 
           0.24094765       0.29007646       0.32825015 
           0.03072869       0.29070542       0.32300745 
           0.97978859       0.29069074       0.21017165 
           0.94907246       0.04408929       0.26765988 
           0.25289917       0.04101854       0.26665929 
           0.20096627       0.29044606       0.26724562 
           0.99902305       0.29047728       0.26666316 
           0.35669198       0.39067393       0.29290605 
           0.34666811       0.18955000       0.23902655 
           0.34618579       0.39226941       0.23894875 
           0.35695184       0.18978929       0.29288034 
           0.59786102       0.14297063       0.29268679 
           0.60147400       0.43370937       0.23900124 
           0.60158585       0.14669138       0.23880636 
           0.59852780       0.43771656       0.29316708 
           0.46390540       0.03915696       0.20976396 
           0.46135747       0.04358429       0.32383095 
           0.73411998       0.04484191       0.32452193 
           0.74021034       0.03977163       0.21007245 
           0.70785500       0.29031726       0.20847663 
           0.82382619       0.29695715       0.34989762 
           0.50904139       0.29002561       0.32085237 
           0.47825725       0.29071050       0.20701735 
           0.45036477       0.04132183       0.26607911 
           0.75187555       0.04330712       0.26781245 
           0.70336397       0.29036669       0.27076077 
           0.49720475       0.29057581       0.26338050 
           0.85084557       0.89322241       0.29458773 
           0.84996287       0.68833334       0.24112950 
           0.85059379       0.89245702       0.24103155 
           0.85101224       0.68731427       0.29456440 
           0.10118960       0.64138246       0.29354922 
           0.09977408       0.93939051       0.24047073 
           0.09995527       0.64068741       0.24019956 
           0.10085284       0.93892156       0.29370394 
           0.95640603       0.53910164       0.21092272 
           0.96664858       0.53749204       0.32458727 
           0.24053823       0.53986672       0.32356233 
           0.22699581       0.54105746       0.20616622 
           0.21259079       0.79039562       0.21013400 
           0.21349120       0.79030824       0.32374128 
           0.98949163       0.79006172       0.32424521 
           0.98803579       0.79000288       0.21057191 
           0.94917389       0.53663719       0.26768365 
           0.25357831       0.53953173       0.26664216 
           0.19974383       0.79011611       0.26681990 
           0.00169812       0.79007514       0.26745491 
           0.35189809       0.89222202       0.29343789 
           0.35045948       0.68785383       0.24001650 
           0.35097868       0.89149661       0.24005200 
           0.35173377       0.68829607       0.29346903 
           0.60003234       0.64076420       0.29428226 
           0.60299225       0.93985013       0.24042762 
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           0.14346698       0.85547665       0.72678403 
           0.23195618       0.66720060       0.72105713 
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           0.34156732       0.85235251       0.68838000 
           0.20896438       0.78992378       0.68136352 
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           0.36778332       0.53980687       0.62977207 
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           0.43688101       0.47543159       0.58509726 
           0.56981467       0.53733283       0.59191600 
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           0.63812505       0.47496240       0.54524398 
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           0.46430050       0.51802566       0.50080477 
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           0.85501790       0.49145071       0.39960691 
           0.93472571       0.09437647       0.38983259 
   
  
  
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         180 
  
 
 
  
          2        2        1 
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          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
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          0.50000000
     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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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
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           0.30000000
          4
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          0.40000000
          1.00000000
          0.10000000
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          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
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       -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
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         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 
   
  
  
          0.85152042       0.04198324       0.29820260 
          0.85105615       0.04100429       0.23770774 
          0.11568831       0.29014457       0.29570527 
          0.08778319       0.29085046       0.23571495 
          0.84329654       0.29041983       0.21791149 
          0.89481900       0.29082303       0.32175241 
          0.10009986       0.04029308       0.21657228 
          0.10266186       0.04090757       0.31755340 
          0.10112663       0.04053002       0.26701504 
          0.84846683       0.29028606       0.26971526 
          0.34970860       0.04083289       0.29668711 
          0.35091971       0.03960368       0.23669393 
          0.58541397       0.29030227       0.28999129 
          0.58826626       0.29025023       0.23035751 
          0.33950848       0.29052761       0.21526958 
          0.36915742       0.29007041       0.31714401 
          0.60211541       0.03893766       0.21615368 
          0.59849068       0.04221350       0.31712068 
          0.60105572       0.03991613       0.26677868 
          0.34672271       0.28985071       0.26613760 
          0.85256169       0.53854843       0.29789907 
          0.84985863       0.53963096       0.23769743 
          0.10050487       0.79031577       0.29696860 
          0.10134255       0.78974870       0.23713007 
          0.85050938       0.79017769       0.21734164 
          0.85137604       0.79043940       0.31813689 
          0.09462869       0.54058645       0.21577802 
          0.10337383       0.53973837       0.31715189 
          0.10144715       0.53984857       0.26653632 
          0.85105069       0.79045631       0.26776489 
          0.34905263       0.53966906       0.29701861 
          0.35501540       0.54079951       0.23763231 
          0.60172601       0.79023431       0.29738523 
          0.60081663       0.79019778       0.23744714 
          0.35078143       0.78995575       0.21628942 
          0.35090039       0.79053564       0.31722556 
          0.60136275       0.54144560       0.21644879 
          0.59866423       0.53806771       0.31771525 
          0.60219561       0.54081452       0.26723135 
          0.35092799       0.79053331       0.26684328 
          0.82563465       0.33292300       0.38308580 
          0.85485089       0.38773662       0.29807798 
          0.84368868       0.18955074       0.24139580 
          0.84307396       0.39092873       0.24147955 
          0.85402034       0.19312870       0.29838289 
          0.10576555       0.14210557       0.29324254 
          0.10008993       0.43771739       0.23978576 
          0.10013578       0.14362342       0.24005627 
          0.10599493       0.43868970       0.29305428 
          0.96161089       0.04160805       0.21056171 
          0.96571682       0.04289000       0.32436943 
          0.24078808       0.04060626       0.32347264 
          0.23781215       0.03964256       0.20978178 
          0.20324553       0.29014371       0.20895049 
          0.24094765       0.29007646       0.32825015 
          0.03072869       0.29070542       0.32300745 
          0.97978859       0.29069074       0.21017165 
          0.94907246       0.04408929       0.26765988 
          0.25289917       0.04101854       0.26665929 
          0.20096627       0.29044606       0.26724562 
          0.99902305       0.29047728       0.26666316 
          0.35669198       0.39067393       0.29290605 
          0.34666811       0.18955000       0.23902655 
          0.34618579       0.39226941       0.23894875 
          0.35695184       0.18978929       0.29288034 
          0.59786102       0.14297063       0.29268679 
          0.60147400       0.43370937       0.23900124 
          0.60158585       0.14669138       0.23880636 
          0.59852780       0.43771656       0.29316708 
          0.46390540       0.03915696       0.20976396 
          0.46135747       0.04358429       0.32383095 
          0.73411998       0.04484191       0.32452193 
          0.74021034       0.03977163       0.21007245 
          0.70785500       0.29031726       0.20847663 
          0.82382619       0.29695715       0.34989762 
          0.50904139       0.29002561       0.32085237 
          0.47825725       0.29071050       0.20701735 
          0.45036477       0.04132183       0.26607911 
          0.75187555       0.04330712       0.26781245 
          0.70336397       0.29036669       0.27076077 
          0.49720475       0.29057581       0.26338050 
          0.85084557       0.89322241       0.29458773 
          0.84996287       0.68833334       0.24112950 
          0.85059379       0.89245702       0.24103155 
          0.85101224       0.68731427       0.29456440 
          0.10118960       0.64138246       0.29354922 
          0.09977408       0.93939051       0.24047073 
          0.09995527       0.64068741       0.24019956 
          0.10085284       0.93892156       0.29370394 
          0.95640603       0.53910164       0.21092272 
          0.96664858       0.53749204       0.32458727 
          0.24053823       0.53986672       0.32356233 
          0.22699581       0.54105746       0.20616622 
          0.21259079       0.79039562       0.21013400 
          0.21349120       0.79030824       0.32374128 
          0.98949163       0.79006172       0.32424521 
          0.98803579       0.79000288       0.21057191 
          0.94917389       0.53663719       0.26768365 
          0.25357831       0.53953173       0.26664216 
          0.19974383       0.79011611       0.26681990 
          0.00169812       0.79007514       0.26745491 
          0.35189809       0.89222202       0.29343789 
          0.35045948       0.68785383       0.24001650 
          0.35097868       0.89149661       0.24005200 
          0.35173377       0.68829607       0.29346903 
          0.60003234       0.64076420       0.29428226 
          0.60299225       0.93985013       0.24042762 
          0.60284184       0.64042735       0.24070993 
          0.59935312       0.93928113       0.29379307 
          0.46224464       0.54141529       0.21025744 
          0.45953067       0.53702148       0.32392439 
          0.73614856       0.53544961       0.32446599 
          0.73857679       0.54100911       0.21001807 
          0.71258039       0.79033758       0.21073508 
          0.71279388       0.79053069       0.32435515 
          0.48851671       0.79040600       0.32406266 
          0.48986960       0.78963912       0.21032479 
          0.45125798       0.53910610       0.26644581 
          0.75211199       0.53724132       0.26786383 
          0.69980798       0.79020059       0.26775131 
          0.50245715       0.78991930       0.26681743 
          0.40679580       0.43667973       0.40103983 
          0.15191498       0.02264295       0.80114326 
          0.07954512       0.06328404       0.77240846 
          0.21590609       0.98469155       0.77834271 
          0.16672378       0.73385838       0.76678886 
          0.29912600       0.79753049       0.77367418 
          0.27661568       0.91700503       0.73346837 
          0.14346698       0.85547665       0.72678403 
          0.23195618       0.66720060       0.72105713 
          0.36537972       0.72832477       0.72797409 
          0.34156732       0.85235251       0.68838000 
          0.20896438       0.78992378       0.68136352 
          0.29923471       0.60276898       0.67523509 
          0.43177712       0.66444489       0.68265727 
          0.41007673       0.78920574       0.64321629 
          0.27770324       0.72723022       0.63573791 
          0.36778332       0.53980687       0.62977207 
          0.50011546       0.60108511       0.63750250 
          0.48113082       0.72515163       0.59794693 
          0.34816302       0.66487181       0.59033954 
          0.43688101       0.47543159       0.58509726 
          0.56981467       0.53733283       0.59191600 
          0.54578883       0.65902605       0.55185892 
          0.41282266       0.59656313       0.54531211 
          0.50595163       0.40708396       0.54122677 
          0.63812505       0.47496240       0.54524398 
          0.59352020       0.59144446       0.50459400 
          0.46430050       0.51802566       0.50080477 
          0.57445104       0.33599746       0.49737183 
          0.69971849       0.41761616       0.49715603 
          0.62156044       0.52127288       0.45679330 
          0.50276388       0.43096605       0.45696303 
          0.63616669       0.26560979       0.45233893 
          0.74811507       0.36273944       0.44876477 
          0.63412437       0.45121846       0.41036884 
          0.53528389       0.34103408       0.41355165 
          0.65459483       0.25432221       0.38093726 
          0.71807821       0.21329957       0.41109287 
          0.16369154       0.91980977       0.78195388 
          0.21172961       0.81274190       0.76471630 
          0.22689635       0.83932225       0.73526025 
          0.28166438       0.74519781       0.71938570 
          0.29277026       0.77355600       0.69004257 
          0.34837361       0.68147246       0.67382458 
          0.36108376       0.71036802       0.64462168 
          0.41710833       0.61847153       0.62847495 
          0.43117752       0.64690604       0.59931007 
          0.48600897       0.55407391       0.58324185 
          0.49697639       0.58036013       0.55390483 
          0.55142400       0.48708880       0.53783322 
          0.55161160       0.50977240       0.50820196 
          0.60947905       0.41921785       0.49190929 
          0.59290475       0.43576784       0.46236489 
          0.65692162       0.35193487       0.44554231 
          0.62362193       0.36368342       0.41658786 
          0.69064931       0.29164309       0.39907381 
          0.29428886       0.38318115       0.39193770 
          0.85501790       0.49145071       0.39960691 
          0.93472571       0.09437647       0.38983259 
  
 
 
  
   
   
   
        305.90992082 
     757083.76872701 
    -792908.62985981 
       2281.72460352 
      34347.35048480 
     -33780.84744713 
         -0.00854992 
      -3046.75834281 
      43158.38024591 
       7440.88978238 
       7440.89833230 
       7440.89263235 
   
  
  
   
   
   
        222.59319009 
        222.64161412 
        222.60933143 
   
  
  
   
   
   
      -1282.17835447 
      -1282.12449252 
      -1282.16040049 
   
  
  
   
   
   
      -1335.82923706 
      -1335.77875655 
      -1335.81241023 
   
  
  
   
   
   
      -1337.47821744 
      -1337.42791489 
      -1337.46144992 
   
  
  
   
   
   
      -1199.66735032 
      -1199.69145507 
      -1199.67538524 
   
  
  
   
   
   
      -1199.51554874 
      -1199.43700776 
      -1199.48936841 
   
  
  
   
   
   
      -1203.05394800 
      -1203.03975654 
      -1203.04921752 
   
  
  
   
   
   
      -1193.97887802 
      -1194.02268808 
      -1193.99348138 
   
  
  
   
   
   
      -1192.08549286 
      -1192.05190705 
      -1192.07429759 
   
  
  
   
   
   
      -1191.01025313 
      -1191.04273472 
      -1191.02108032 
   
  
  
   
   
   
      -1190.66746904 
      -1190.64111401 
      -1190.65868403 
   
  
  
   
   
   
      -1190.61707526 
      -1190.59578305 
      -1190.60997786 
   
  
  
   
   
   
      -1190.54790983 
      -1190.53921113 
      -1190.54501026 
   
  
  
   
   
   
      -1190.54078896 
      -1190.51919288 
      -1190.53359027 
   
  
  
   
   
   
      -1190.54752192 
      -1190.53436743 
      -1190.54313709 
   
  
  
   
   
   
      -1190.55771108 
      -1190.53863682 
      -1190.55135299 
   
  
  
   
   
   
      -1190.56819998 
      -1190.54929958 
      -1190.56189985 
   
  
  
   
   
   
      -1190.57495183 
      -1190.55687607 
      -1190.56892658 
   
  
  
   
   
   
      -1190.58247226 
      -1190.56518133 
      -1190.57670862 
   
  
  
   
   
   
      -1190.59378303 
      -1190.57694066 
      -1190.58816891 
   
  
  
   
   
   
      -1190.59926721 
      -1190.58257526 
      -1190.59370323 
   
  
  
   
   
   
      -1190.60158334 
      -1190.58451563 
      -1190.59589410 
   
  
  
   
   
   
      -1190.60226082 
      -1190.58515224 
      -1190.59655796 
   
  
  
   
   
   
      -1190.60270609 
      -1190.58560040 
      -1190.59700419 
   
  
  
   
   
   
      -1190.60406195 
      -1190.58701549 
      -1190.59837979 
   
  
  
   
   
   
      -1190.60459288 
      -1190.58744341 
      -1190.59887639 
   
  
  
   
   
   
      -1190.60478770 
      -1190.58762630 
      -1190.59906723 
   
  
  
   
   
   
      -1190.60494424 
      -1190.58778055 
      -1190.59922301 
   
  
  
   
   
   
      -1190.60514078 
      -1190.58799415 
      -1190.59942524 
   
  
  
   
   
   
      -1190.60521064 
      -1190.58807170 
      -1190.59949766 
   
  
  
   
   
   
      -1190.60522734 
      -1190.58809297 
      -1190.59951589 
   
  
  
   
   
   
        305.90992082 
     757083.76872701 
    -795443.77968223 
       2405.57918361 
      86986.80502844 
     -86442.37721818 
         -0.01713558 
      -9244.87430164 
      43158.38024591 
      -1190.60523184 
      -1190.58809627 
      -1190.59951998 
   
  
  
   
    
           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 
    
   
   
           0.85152042       0.04198324       0.29820260 
           0.85105615       0.04100429       0.23770774 
           0.11568831       0.29014457       0.29570527 
           0.08778319       0.29085046       0.23571495 
           0.84329654       0.29041983       0.21791149 
           0.89481900       0.29082303       0.32175241 
           0.10009986       0.04029308       0.21657228 
           0.10266186       0.04090757       0.31755340 
           0.10112663       0.04053002       0.26701504 
           0.84846683       0.29028606       0.26971526 
           0.34970860       0.04083289       0.29668711 
           0.35091971       0.03960368       0.23669393 
           0.58541397       0.29030227       0.28999129 
           0.58826626       0.29025023       0.23035751 
           0.33950848       0.29052761       0.21526958 
           0.36915742       0.29007041       0.31714401 
           0.60211541       0.03893766       0.21615368 
           0.59849068       0.04221350       0.31712068 
           0.60105572       0.03991613       0.26677868 
           0.34672271       0.28985071       0.26613760 
           0.85256169       0.53854843       0.29789907 
           0.84985863       0.53963096       0.23769743 
           0.10050487       0.79031577       0.29696860 
           0.10134255       0.78974870       0.23713007 
           0.85050938       0.79017769       0.21734164 
           0.85137604       0.79043940       0.31813689 
           0.09462869       0.54058645       0.21577802 
           0.10337383       0.53973837       0.31715189 
           0.10144715       0.53984857       0.26653632 
           0.85105069       0.79045631       0.26776489 
           0.34905263       0.53966906       0.29701861 
           0.35501540       0.54079951       0.23763231 
           0.60172601       0.79023431       0.29738523 
           0.60081663       0.79019778       0.23744714 
           0.35078143       0.78995575       0.21628942 
           0.35090039       0.79053564       0.31722556 
           0.60136275       0.54144560       0.21644879 
           0.59866423       0.53806771       0.31771525 
           0.60219561       0.54081452       0.26723135 
           0.35092799       0.79053331       0.26684328 
           0.82563465       0.33292300       0.38308580 
           0.85485089       0.38773662       0.29807798 
           0.84368868       0.18955074       0.24139580 
           0.84307396       0.39092873       0.24147955 
           0.85402034       0.19312870       0.29838289 
           0.10576555       0.14210557       0.29324254 
           0.10008993       0.43771739       0.23978576 
           0.10013578       0.14362342       0.24005627 
           0.10599493       0.43868970       0.29305428 
           0.96161089       0.04160805       0.21056171 
           0.96571682       0.04289000       0.32436943 
           0.24078808       0.04060626       0.32347264 
           0.23781215       0.03964256       0.20978178 
           0.20324553       0.29014371       0.20895049 
           0.24094765       0.29007646       0.32825015 
           0.03072869       0.29070542       0.32300745 
           0.97978859       0.29069074       0.21017165 
           0.94907246       0.04408929       0.26765988 
           0.25289917       0.04101854       0.26665929 
           0.20096627       0.29044606       0.26724562 
           0.99902305       0.29047728       0.26666316 
           0.35669198       0.39067393       0.29290605 
           0.34666811       0.18955000       0.23902655 
           0.34618579       0.39226941       0.23894875 
           0.35695184       0.18978929       0.29288034 
           0.59786102       0.14297063       0.29268679 
           0.60147400       0.43370937       0.23900124 
           0.60158585       0.14669138       0.23880636 
           0.59852780       0.43771656       0.29316708 
           0.46390540       0.03915696       0.20976396 
           0.46135747       0.04358429       0.32383095 
           0.73411998       0.04484191       0.32452193 
           0.74021034       0.03977163       0.21007245 
           0.70785500       0.29031726       0.20847663 
           0.82382619       0.29695715       0.34989762 
           0.50904139       0.29002561       0.32085237 
           0.47825725       0.29071050       0.20701735 
           0.45036477       0.04132183       0.26607911 
           0.75187555       0.04330712       0.26781245 
           0.70336397       0.29036669       0.27076077 
           0.49720475       0.29057581       0.26338050 
           0.85084557       0.89322241       0.29458773 
           0.84996287       0.68833334       0.24112950 
           0.85059379       0.89245702       0.24103155 
           0.85101224       0.68731427       0.29456440 
           0.10118960       0.64138246       0.29354922 
           0.09977408       0.93939051       0.24047073 
           0.09995527       0.64068741       0.24019956 
           0.10085284       0.93892156       0.29370394 
           0.95640603       0.53910164       0.21092272 
           0.96664858       0.53749204       0.32458727 
           0.24053823       0.53986672       0.32356233 
           0.22699581       0.54105746       0.20616622 
           0.21259079       0.79039562       0.21013400 
           0.21349120       0.79030824       0.32374128 
           0.98949163       0.79006172       0.32424521 
           0.98803579       0.79000288       0.21057191 
           0.94917389       0.53663719       0.26768365 
           0.25357831       0.53953173       0.26664216 
           0.19974383       0.79011611       0.26681990 
           0.00169812       0.79007514       0.26745491 
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           0.35045948       0.68785383       0.24001650 
           0.35097868       0.89149661       0.24005200 
           0.35173377       0.68829607       0.29346903 
           0.60003234       0.64076420       0.29428226 
           0.60299225       0.93985013       0.24042762 
           0.60284184       0.64042735       0.24070993 
           0.59935312       0.93928113       0.29379307 
           0.46224464       0.54141529       0.21025744 
           0.45953067       0.53702148       0.32392439 
           0.73614856       0.53544961       0.32446599 
           0.73857679       0.54100911       0.21001807 
           0.71258039       0.79033758       0.21073508 
           0.71279388       0.79053069       0.32435515 
           0.48851671       0.79040600       0.32406266 
           0.48986960       0.78963912       0.21032479 
           0.45125798       0.53910610       0.26644581 
           0.75211199       0.53724132       0.26786383 
           0.69980798       0.79020059       0.26775131 
           0.50245715       0.78991930       0.26681743 
           0.40679580       0.43667973       0.40103983 
           0.15191498       0.02264295       0.80114326 
           0.07954512       0.06328404       0.77240846 
           0.21590609       0.98469155       0.77834271 
           0.16672378       0.73385838       0.76678886 
           0.29912600       0.79753049       0.77367418 
           0.27661568       0.91700503       0.73346837 
           0.14346698       0.85547665       0.72678403 
           0.23195618       0.66720060       0.72105713 
           0.36537972       0.72832477       0.72797409 
           0.34156732       0.85235251       0.68838000 
           0.20896438       0.78992378       0.68136352 
           0.29923471       0.60276898       0.67523509 
           0.43177712       0.66444489       0.68265727 
           0.41007673       0.78920574       0.64321629 
           0.27770324       0.72723022       0.63573791 
           0.36778332       0.53980687       0.62977207 
           0.50011546       0.60108511       0.63750250 
           0.48113082       0.72515163       0.59794693 
           0.34816302       0.66487181       0.59033954 
           0.43688101       0.47543159       0.58509726 
           0.56981467       0.53733283       0.59191600 
           0.54578883       0.65902605       0.55185892 
           0.41282266       0.59656313       0.54531211 
           0.50595163       0.40708396       0.54122677 
           0.63812505       0.47496240       0.54524398 
           0.59352020       0.59144446       0.50459400 
           0.46430050       0.51802566       0.50080477 
           0.57445104       0.33599746       0.49737183 
           0.69971849       0.41761616       0.49715603 
           0.62156044       0.52127288       0.45679330 
           0.50276388       0.43096605       0.45696303 
           0.63616669       0.26560979       0.45233893 
           0.74811507       0.36273944       0.44876477 
           0.63412437       0.45121846       0.41036884 
           0.53528389       0.34103408       0.41355165 
           0.65459483       0.25432221       0.38093726 
           0.71807821       0.21329957       0.41109287 
           0.16369154       0.91980977       0.78195388 
           0.21172961       0.81274190       0.76471630 
           0.22689635       0.83932225       0.73526025 
           0.28166438       0.74519781       0.71938570 
           0.29277026       0.77355600       0.69004257 
           0.34837361       0.68147246       0.67382458 
           0.36108376       0.71036802       0.64462168 
           0.41710833       0.61847153       0.62847495 
           0.43117752       0.64690604       0.59931007 
           0.48600897       0.55407391       0.58324185 
           0.49697639       0.58036013       0.55390483 
           0.55142400       0.48708880       0.53783322 
           0.55161160       0.50977240       0.50820196 
           0.60947905       0.41921785       0.49190929 
           0.59290475       0.43576784       0.46236489 
           0.65692162       0.35193487       0.44554231 
           0.62362193       0.36368342       0.41658786 
           0.69064931       0.29164309       0.39907381 
           0.29428886       0.38318115       0.39193770 
           0.85501790       0.49145071       0.39960691 
           0.93472571       0.09437647       0.38983259 
   
  
  
          0.06678455      -0.11452736       0.11239699 
         -0.00482558      -0.02635104       0.01868620 
         -0.09917684       0.02048296      -0.36629351 
          0.11334291      -0.05746238      -0.03674731 
         -0.05043175      -0.01414878      -0.03635251 
         -0.19722398       0.08421557       0.67331566 
          0.02580117      -0.00212619      -0.01594629 
          0.14351195       0.02609175      -0.00500321 
          0.03871399       0.00695070       0.03460567 
         -0.01118011       0.02262176      -0.08856664 
         -0.07097644      -0.02865527       0.03853697 
          0.00391417       0.00550593       0.02642790 
         -0.02398699      -0.02369146      -0.04733388 
         -0.06447797      -0.01892041      -0.01321977 
         -0.01168360       0.08000162       0.03929398 
         -0.86270803       0.04814089       0.32496018 
         -0.02035581      -0.00141541      -0.00807785 
         -0.11623020      -0.02600668      -0.01168769 
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         -0.02320087       0.01011859      -0.01173689 
         -0.02054548       0.01331338       0.03373646 
          0.61031125      -0.00599764      -0.11475072 
          0.09760000      -0.02405322      -0.01383714 
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          0.09714032      -0.00963009       0.01755217 
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          0.00790017      -0.02107603      -0.04618787 
          0.67828419      -1.59072501      -0.12887991 
         -0.00488602      -0.08989390       0.27451253 
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          0.04105153      -0.01152505       0.04993175 
         -0.02652872       0.14894525       0.35993064 
          0.03703146      -0.09586407       0.13736610 
         -0.09667884       0.04515838       0.04315751 
         -0.01478846       0.00473538       0.03590651 
          0.03862553       0.03847949       0.07766801 
         -0.02103418       0.00051514       0.01123314 
         -0.20992514       0.00233313      -0.23018693 
          0.02534602      -0.05601657      -0.07083010 
         -0.00085701       0.00546289       0.01512967 
         -0.07181465      -0.06940852       0.01639623 
          0.06016246      -0.00201388      -0.34955714 
         -0.43593731       0.01655536       0.25426139 
          0.01089264       0.01887334       0.01997801 
         -0.02172681       0.03227125       0.03407525 
         -0.00198286      -0.00056634       0.00669688 
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          0.09330450      -0.06974521      -0.04819525 
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         -0.05761029      -0.01751018      -0.04744920 
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         -0.00244903      -0.04100666      -0.08663915 
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          0.00849264       0.00424852      -0.00235543 
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          0.56660648       0.83195839      -0.20937273 
          0.19797240       0.01318971      -0.06579786 
         -0.01048745       0.00331357       0.00153112 
          0.02031518      -0.00551042      -0.01130115 
          0.01564225       0.01924475       0.01260554 
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         -0.01291668       0.02654631      -0.02032953 
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          0.00097573      -0.00761835       0.02603986 
         -0.01577408      -0.02687276       0.04034157 
         -0.02686694       0.00116395       0.01451481 
         -0.01054180      -0.02186973       0.02716562 
         -0.09485369      -0.04246043       0.03858610 
          0.00114479       0.08593772       0.09576433 
         -0.17254058      -0.00614920       0.06260526 
         -0.09966922      -0.05154203       0.01903720 
          0.08144305       0.06653755      -0.06847683 
          0.02950980      -0.02350557       0.24536598 
         -0.07258776       0.06543328       0.01668004 
         -0.05548980      -0.00622829      -0.01052177 
          0.02585317      -0.01518652      -0.02096165 
          0.02243670      -0.02298407      -0.00088478 
         -0.03962580      -0.02459180       0.01830028 
         -0.04166207      -0.00371444      -0.07134553 
         -0.01425391      -0.00790803       0.00313164 
         -0.01632637       0.01156119       0.01968114 
          0.00353249       0.02955527       0.00986765 
         -0.05557531       0.03517829      -0.05891566 
          0.00363900      -0.00401322       0.01481765 
          0.00685344       0.00866979       0.02641820 
         -0.02315641       0.06959097      -0.11752040 
          0.00483167      -0.00286247       0.02841204 
          0.00447729       0.00417754       0.01719784 
         -0.00092877       0.02308168       0.01839609 
          0.03390720      -0.00943377       0.05299313 
          0.41834709      -0.03869767       0.02662535 
         -0.09817894      -0.01775321       0.14331326 
          0.00740669      -0.00476613       0.00013222 
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          0.02984084      -0.02576253      -0.01619293 
          0.00173719      -0.00448808      -0.01314390 
         -0.01406636      -0.00235618      -0.00040134 
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         -0.00117880      -0.01429089       0.02887072 
          0.00869627      -0.00624277       0.00624957 
          0.00046696      -0.01945954      -0.01086416 
         -3.36575774      -1.57128905      -1.10284092 
         -0.85308671      -4.26567276      -0.75294533 
          0.45225887      -2.14070962      -0.24244582 
          3.64566742       2.27266426      -2.06429166 
         -0.68999207      -0.44293457       0.37567352 
         -0.91536780       0.40045443       0.01657793 
          0.10071690       0.29115798      -0.14434274 
         -0.37496487       0.27762973      -0.18576303 
         -0.11713178      -0.28955820       0.20419697 
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          0.09268391       0.22714096      -0.19511627 
         -0.24740357       0.19836931       0.02914283 
         -0.10108722      -0.22524005       0.20366782 
          0.25047671      -0.19988843      -0.01165053 
          0.09572870       0.21589792      -0.20359738 
         -0.24037575       0.19434084       0.00919796 
         -0.10607407      -0.21527393       0.20668300 
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         -0.03848622      -0.18620016       0.18177778 
          0.24709321      -0.16505583      -0.03534123 
          0.01834461       0.22383855      -0.15495371 
         -0.21524598       0.13603519       0.06742961 
          0.02793420      -0.18386726       0.13244930 
          0.24832055      -0.09868647      -0.07506349 
         -0.05955362       0.22382676      -0.05020798 
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          0.06171129      -0.16082261      -0.02275390 
          0.23976976       0.01804127      -0.19122371 
         -0.21696452       0.67788665      -0.00421383 
         -0.64834501      -0.07096636       0.20093282 
         -0.88855392      -0.09838030      -0.09970596 
         -0.25588529       0.68609481      -0.82679362 
         -1.35438568       2.61851080       1.70648089 
         -0.08627111       1.09598960       1.20247942 
         -0.41810084       0.37869176       0.19807946 
          0.03342567      -0.21027852       0.23975325 
         -0.09743948       0.22930979      -0.06427520 
          0.09267808      -0.24137873       0.12710320 
         -0.11078397       0.26375935      -0.10310988 
          0.13068860      -0.28793124       0.12810439 
         -0.14410009       0.29101413      -0.12619718 
          0.13554797      -0.29595887       0.13445167 
         -0.11477444       0.27090596      -0.13219007 
          0.02926460      -0.22802533       0.15861892 
          0.03488175       0.24903575      -0.11482814 
         -0.17490049      -0.21712862       0.25214749 
          0.23677480       0.37572678      -0.13498394 
         -0.38718691      -0.26296216       0.28744530 
         -0.16593577       0.95506953       0.10329578 
          1.84921847      -3.23211361      -0.60207692 
          3.39285877       1.57121222       1.11922425 
          0.63578819      -0.01724925      -0.70377375 
         -0.41129294       1.45286223       0.04221391 
  
  
        -45.53038342       0.75351924      -1.50901948 
          0.75351920       0.71819904      -1.39595096 
         -1.50901947      -1.39595093     -11.81532444 
  
  
     -1190.60523184 
     -1190.58809627 
     -1190.59951998 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -26.5961    1.0000 
         -26.1624    1.0000 
         -26.1037    1.0000 
         -26.0174    1.0000 
         -26.0012    1.0000 
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         -24.8658    1.0000 
         -24.6179    1.0000 
         -24.5446    1.0000 
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         -24.1335    1.0000 
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         -24.0645    1.0000 
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         -23.6554    1.0000 
         -23.6148    1.0000 
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         -23.0516    1.0000 
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         -22.0282    1.0000 
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         -19.1982    1.0000 
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         -10.6915    1.0000 
         -10.5656    1.0000 
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         -10.3151    1.0000 
         -10.3044    1.0000 
         -10.2727    1.0000 
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