vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:52:06 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.73000000      1.11000000      0.75000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           13.83534000       0.00000000       0.00000000 
            0.00000000      13.83534000       0.00000000 
            0.00000000       0.00000000      24.76796000 
    
       4740.99950739 
    
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            0.00000000       0.07227867       0.00000000 
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           0.16806250       0.99776212       0.39241634 
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           0.00139583       0.83109545       0.21424321 
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           0.33419015       0.16410696       0.59072301 
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           0.50139583       0.33109545       0.39241634 
           0.33472916       0.16442878       0.33302530 
           0.50198569       0.33054007       0.50813485 
           0.33472916       0.16442878       0.21424321 
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           0.50139583       0.66442878       0.27363425 
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           0.50139583       0.66442878       0.39241634 
           0.33472916       0.49776212       0.33302530 
           0.50186524       0.66362180       0.51192167 
           0.33472916       0.49776212       0.21424321 
           0.50013716       0.66607340       0.63336681 
           0.33055515       0.83476253       0.58773543 
           0.50139583       0.99776212       0.27363425 
           0.33567761       0.82995556       0.46019962 
           0.50139583       0.99776212       0.39241634 
           0.33472916       0.83109545       0.33302530 
           0.50204419       0.99696450       0.50815687 
           0.33472916       0.83109545       0.21424321 
           0.50065973       0.99773450       0.62412533 
           0.66795721       0.16390644       0.59057139 
           0.83472916       0.33109545       0.27363425 
           0.66859273       0.16348359       0.46084448 
           0.83472916       0.33109545       0.39241634 
           0.66806250       0.16442878       0.33302530 
           0.83584744       0.32974962       0.50788801 
           0.66806250       0.16442878       0.21424321 
           0.83471526       0.33034179       0.62389245 
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           0.83472916       0.66442878       0.27363425 
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           0.83472916       0.66442878       0.39241634 
           0.66806250       0.49776212       0.33302530 
           0.83575316       0.66413348       0.50898619 
           0.66806250       0.49776212       0.21424321 
           0.83408773       0.66241208       0.62598343 
           0.66420534       0.82934854       0.59095391 
           0.83472916       0.99776212       0.27363425 
           0.66764240       0.82882325       0.46121396 
           0.83472916       0.99776212       0.39241634 
           0.66806250       0.83109545       0.33302530 
           0.83447922       0.99631730       0.50816083 
           0.66806250       0.83109545       0.21424321 
           0.83383730       0.99722128       0.62387624 
           0.10127751       0.26354123       0.57532590 
           0.26209583       0.23706212       0.27363425 
           0.07402916       0.09179545       0.27363425 
           0.23466249       0.06485336       0.57484323 
           0.10239928       0.26493057       0.45501457 
           0.26209583       0.23706212       0.39241634 
           0.07402916       0.09179545       0.39241634 
           0.23370748       0.06386689       0.45477937 
           0.09542916       0.25846212       0.33302530 
           0.26928331       0.23001036       0.51562054 
           0.06717745       0.09840083       0.51549691 
           0.24069583       0.07039545       0.33302530 
           0.09542916       0.25846212       0.21424321 
           0.26319717       0.23493701       0.63962310 
           0.07213180       0.09334349       0.64015619 
           0.24069583       0.07039545       0.21424321 
           0.10143500       0.59666408       0.57488184 
           0.26209583       0.57039545       0.27363425 
           0.07402916       0.42512878       0.27363425 
           0.23556098       0.39810164       0.57509752 
           0.10223202       0.59796953       0.45462059 
           0.26209583       0.57039545       0.39241634 
           0.07402916       0.42512878       0.39241634 
           0.23451440       0.39721813       0.45484548 
           0.09542916       0.59179545       0.33302530 
           0.26937040       0.56373228       0.51584118 
           0.06761240       0.43171993       0.51544890 
           0.24069583       0.40372878       0.33302530 
           0.09542916       0.59179545       0.21424321 
           0.26171724       0.56940293       0.64022908 
           0.07309915       0.42529801       0.63958922 
           0.24069583       0.40372878       0.21424321 
           0.10021857       0.93046523       0.57493700 
           0.26209583       0.90372878       0.27363425 
           0.07402916       0.75846212       0.27363425 
           0.23193996       0.73220333       0.57415553 
           0.10158376       0.93182899       0.45472051 
           0.26209583       0.90372878       0.39241634 
           0.07402916       0.75846212       0.39241634 
           0.23397546       0.73031670       0.45477718 
           0.09542916       0.92512878       0.33302530 
           0.26838739       0.89707652       0.51447830 
           0.06650260       0.76456413       0.51535074 
           0.24069583       0.73706212       0.33302530 
           0.09542916       0.92512878       0.21424321 
           0.26070664       0.90469705       0.64005471 
           0.07235921       0.75935722       0.64004373 
           0.24069583       0.73706212       0.21424321 
           0.43385196       0.26316806       0.57512597 
           0.59542916       0.23706212       0.27363425 
           0.40736250       0.09179545       0.27363425 
           0.56845960       0.06479656       0.57509414 
           0.43520786       0.26491051       0.45467644 
           0.59542916       0.23706212       0.39241634 
           0.40736250       0.09179545       0.39241634 
           0.56765583       0.06340868       0.45466619 
           0.42876250       0.25846212       0.33302530 
           0.60217157       0.22936699       0.51521910 
           0.40076064       0.09871131       0.51516475 
           0.57402916       0.07039545       0.33302530 
           0.42876250       0.25846212       0.21424321 
           0.59638611       0.23452705       0.63959659 
           0.40552233       0.09326977       0.63970466 
           0.57402916       0.07039545       0.21424321 
           0.43369100       0.59650639       0.57903349 
           0.59542916       0.57039545       0.27363425 
           0.40736250       0.42512878       0.27363425 
           0.56918100       0.39455348       0.57426621 
           0.43621322       0.59884710       0.45636854 
           0.59542916       0.57039545       0.39241634 
           0.40736250       0.42512878       0.39241634 
           0.56738860       0.39700052       0.45480182 
           0.42876250       0.59179545       0.33302530 
           0.60296580       0.56268071       0.51575228 
           0.40121054       0.43193983       0.51591934 
           0.57402916       0.40372878       0.33302530 
           0.42876250       0.59179545       0.21424321 
           0.60110862       0.56391767       0.63320770 
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           0.57402916       0.40372878       0.21424321 
           0.43338731       0.93313535       0.57418669 
           0.59542916       0.90372878       0.27363425 
           0.40736250       0.75846212       0.27363425 
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           0.40736250       0.75846212       0.39241634 
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           0.74069583       0.09179545       0.27363425 
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           0.92876250       0.23706212       0.39241634 
           0.74069583       0.09179545       0.39241634 
           0.90084730       0.06339493       0.45499999 
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           0.90736250       0.40372878       0.21424321 
           0.76719294       0.93115462       0.57484872 
           0.92876250       0.90372878       0.27363425 
           0.74069583       0.75846212       0.27363425 
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           0.92876250       0.90372878       0.39241634 
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           0.63771792       0.64083095       0.71975181 
   
  
  
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          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
     1068
       -1
       -1
      1779.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -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
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.45000000      0.73000000      1.11000000      0.75000000      0.77000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        47.88000000     16.00000000     28.08500000     14.00100000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        11.85249877
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       240 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Si   3
    N    4
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       5C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.00134493       0.16437789       0.59126234 
          0.16806250       0.33109545       0.27363425 
          0.00186742       0.16390635       0.46080068 
          0.16806250       0.33109545       0.39241634 
          0.00139583       0.16442878       0.33302530 
          0.16985664       0.33091248       0.50815312 
          0.00139583       0.16442878       0.21424321 
          0.16889301       0.33139694       0.62395998 
          0.00251759       0.49615550       0.58985715 
          0.16806250       0.66442878       0.27363425 
          0.00227640       0.49711543       0.46072380 
          0.16806250       0.66442878       0.39241634 
          0.00139583       0.49776212       0.33302530 
          0.16856658       0.66360031       0.50817959 
          0.00139583       0.49776212       0.21424321 
          0.16777192       0.66442838       0.62398342 
          0.00032386       0.83037574       0.59110407 
          0.16806250       0.99776212       0.27363425 
          0.00149657       0.83029624       0.46108963 
          0.16806250       0.99776212       0.39241634 
          0.00139583       0.83109545       0.33302530 
          0.16742469       0.99787013       0.50798387 
          0.00139583       0.83109545       0.21424321 
          0.16717769       0.99779401       0.62409797 
          0.33419015       0.16410696       0.59072301 
          0.50139583       0.33109545       0.27363425 
          0.33547682       0.16386059       0.46080698 
          0.50139583       0.33109545       0.39241634 
          0.33472916       0.16442878       0.33302530 
          0.50198569       0.33054007       0.50813485 
          0.33472916       0.16442878       0.21424321 
          0.50140826       0.33037996       0.62400112 
          0.33765215       0.50037565       0.59184143 
          0.50139583       0.66442878       0.27363425 
          0.33664183       0.49837593       0.46145329 
          0.50139583       0.66442878       0.39241634 
          0.33472916       0.49776212       0.33302530 
          0.50186524       0.66362180       0.51192167 
          0.33472916       0.49776212       0.21424321 
          0.50013716       0.66607340       0.63336681 
          0.33055515       0.83476253       0.58773543 
          0.50139583       0.99776212       0.27363425 
          0.33567761       0.82995556       0.46019962 
          0.50139583       0.99776212       0.39241634 
          0.33472916       0.83109545       0.33302530 
          0.50204419       0.99696450       0.50815687 
          0.33472916       0.83109545       0.21424321 
          0.50065973       0.99773450       0.62412533 
          0.66795721       0.16390644       0.59057139 
          0.83472916       0.33109545       0.27363425 
          0.66859273       0.16348359       0.46084448 
          0.83472916       0.33109545       0.39241634 
          0.66806250       0.16442878       0.33302530 
          0.83584744       0.32974962       0.50788801 
          0.66806250       0.16442878       0.21424321 
          0.83471526       0.33034179       0.62389245 
          0.67088117       0.49478583       0.58812811 
          0.83472916       0.66442878       0.27363425 
          0.66863409       0.49787262       0.46027817 
          0.83472916       0.66442878       0.39241634 
          0.66806250       0.49776212       0.33302530 
          0.83575316       0.66413348       0.50898619 
          0.66806250       0.49776212       0.21424321 
          0.83408773       0.66241208       0.62598343 
          0.66420534       0.82934854       0.59095391 
          0.83472916       0.99776212       0.27363425 
          0.66764240       0.82882325       0.46121396 
          0.83472916       0.99776212       0.39241634 
          0.66806250       0.83109545       0.33302530 
          0.83447922       0.99631730       0.50816083 
          0.66806250       0.83109545       0.21424321 
          0.83383730       0.99722128       0.62387624 
          0.10127751       0.26354123       0.57532590 
          0.26209583       0.23706212       0.27363425 
          0.07402916       0.09179545       0.27363425 
          0.23466249       0.06485336       0.57484323 
          0.10239928       0.26493057       0.45501457 
          0.26209583       0.23706212       0.39241634 
          0.07402916       0.09179545       0.39241634 
          0.23370748       0.06386689       0.45477937 
          0.09542916       0.25846212       0.33302530 
          0.26928331       0.23001036       0.51562054 
          0.06717745       0.09840083       0.51549691 
          0.24069583       0.07039545       0.33302530 
          0.09542916       0.25846212       0.21424321 
          0.26319717       0.23493701       0.63962310 
          0.07213180       0.09334349       0.64015619 
          0.24069583       0.07039545       0.21424321 
          0.10143500       0.59666408       0.57488184 
          0.26209583       0.57039545       0.27363425 
          0.07402916       0.42512878       0.27363425 
          0.23556098       0.39810164       0.57509752 
          0.10223202       0.59796953       0.45462059 
          0.26209583       0.57039545       0.39241634 
          0.07402916       0.42512878       0.39241634 
          0.23451440       0.39721813       0.45484548 
          0.09542916       0.59179545       0.33302530 
          0.26937040       0.56373228       0.51584118 
          0.06761240       0.43171993       0.51544890 
          0.24069583       0.40372878       0.33302530 
          0.09542916       0.59179545       0.21424321 
          0.26171724       0.56940293       0.64022908 
          0.07309915       0.42529801       0.63958922 
          0.24069583       0.40372878       0.21424321 
          0.10021857       0.93046523       0.57493700 
          0.26209583       0.90372878       0.27363425 
          0.07402916       0.75846212       0.27363425 
          0.23193996       0.73220333       0.57415553 
          0.10158376       0.93182899       0.45472051 
          0.26209583       0.90372878       0.39241634 
          0.07402916       0.75846212       0.39241634 
          0.23397546       0.73031670       0.45477718 
          0.09542916       0.92512878       0.33302530 
          0.26838739       0.89707652       0.51447830 
          0.06650260       0.76456413       0.51535074 
          0.24069583       0.73706212       0.33302530 
          0.09542916       0.92512878       0.21424321 
          0.26070664       0.90469705       0.64005471 
          0.07235921       0.75935722       0.64004373 
          0.24069583       0.73706212       0.21424321 
          0.43385196       0.26316806       0.57512597 
          0.59542916       0.23706212       0.27363425 
          0.40736250       0.09179545       0.27363425 
          0.56845960       0.06479656       0.57509414 
          0.43520786       0.26491051       0.45467644 
          0.59542916       0.23706212       0.39241634 
          0.40736250       0.09179545       0.39241634 
          0.56765583       0.06340868       0.45466619 
          0.42876250       0.25846212       0.33302530 
          0.60217157       0.22936699       0.51521910 
          0.40076064       0.09871131       0.51516475 
          0.57402916       0.07039545       0.33302530 
          0.42876250       0.25846212       0.21424321 
          0.59638611       0.23452705       0.63959659 
          0.40552233       0.09326977       0.63970466 
          0.57402916       0.07039545       0.21424321 
          0.43369100       0.59650639       0.57903349 
          0.59542916       0.57039545       0.27363425 
          0.40736250       0.42512878       0.27363425 
          0.56918100       0.39455348       0.57426621 
          0.43621322       0.59884710       0.45636854 
          0.59542916       0.57039545       0.39241634 
          0.40736250       0.42512878       0.39241634 
          0.56738860       0.39700052       0.45480182 
          0.42876250       0.59179545       0.33302530 
          0.60296580       0.56268071       0.51575228 
          0.40121054       0.43193983       0.51591934 
          0.57402916       0.40372878       0.33302530 
          0.42876250       0.59179545       0.21424321 
          0.60110862       0.56391767       0.63320770 
          0.40644103       0.42438239       0.64030258 
          0.57402916       0.40372878       0.21424321 
          0.43338731       0.93313535       0.57418669 
          0.59542916       0.90372878       0.27363425 
          0.40736250       0.75846212       0.27363425 
          0.56825634       0.73195851       0.57882361 
          0.43540148       0.93163659       0.45474380 
          0.59542916       0.90372878       0.39241634 
          0.40736250       0.75846212       0.39241634 
          0.56686285       0.72945102       0.45645225 
          0.42876250       0.92512878       0.33302530 
          0.60195736       0.89641154       0.51564720 
          0.40010712       0.76530900       0.51530098 
          0.57402916       0.73706212       0.33302530 
          0.42876250       0.92512878       0.21424321 
          0.59553137       0.90455221       0.64038746 
          0.40017773       0.76371784       0.63308128 
          0.57402916       0.73706212       0.21424321 
          0.76752331       0.26306758       0.57467880 
          0.92876250       0.23706212       0.27363425 
          0.74069583       0.09179545       0.27363425 
          0.90198415       0.06454627       0.57537487 
          0.76923653       0.26427490       0.45459709 
          0.92876250       0.23706212       0.39241634 
          0.74069583       0.09179545       0.39241634 
          0.90084730       0.06339493       0.45499999 
          0.76209583       0.25846212       0.33302530 
          0.93587611       0.22969159       0.51556761 
          0.73373161       0.09823361       0.51555682 
          0.90736250       0.07039545       0.33302530 
          0.76209583       0.25846212       0.21424321 
          0.93037295       0.23485671       0.64010957 
          0.73936539       0.09308640       0.63957964 
          0.90736250       0.07039545       0.21424321 
          0.77064835       0.59579417       0.57505610 
          0.92876250       0.57039545       0.27363425 
          0.74069583       0.42512878       0.27363425 
          0.90221954       0.39710707       0.57456428 
          0.76907632       0.59864906       0.45524963 
          0.92876250       0.57039545       0.39241634 
          0.74069583       0.42512878       0.39241634 
          0.90135376       0.39645805       0.45466869 
          0.76209583       0.59179545       0.33302530 
          0.93639479       0.56328097       0.51521569 
          0.73470833       0.43086150       0.51409639 
          0.90736250       0.40372878       0.33302530 
          0.76209583       0.59179545       0.21424321 
          0.93238083       0.56763431       0.63817701 
          0.74205395       0.42306822       0.64043566 
          0.90736250       0.40372878       0.21424321 
          0.76719294       0.93115462       0.57484872 
          0.92876250       0.90372878       0.27363425 
          0.74069583       0.75846212       0.27363425 
          0.90217569       0.73128220       0.57656566 
          0.76851081       0.93128979       0.45483439 
          0.92876250       0.90372878       0.39241634 
          0.74069583       0.75846212       0.39241634 
          0.90067330       0.73041603       0.45497998 
          0.76209583       0.92512878       0.33302530 
          0.93529797       0.89622547       0.51585524 
          0.73383529       0.76457343       0.51579757 
          0.90736250       0.73706212       0.33302530 
          0.76209583       0.92512878       0.21424321 
          0.92975786       0.90254501       0.63999074 
          0.73980960       0.76099579       0.63832261 
          0.90736250       0.73706212       0.21424321 
          0.50434265       0.66612917       0.70770536 
          0.46817224       0.67999221       0.80883125 
          0.69940766       0.64953610       0.77121191 
          0.37763248       0.58655084       0.80313674 
          0.51731839       0.66789910       0.87430698 
          0.42251196       0.80271669       0.79665468 
          0.75858528       0.72686317       0.77471186 
          0.72819900       0.55675669       0.78307430 
          0.34959087       0.58800029       0.76377779 
          0.40303719       0.51378945       0.81216160 
          0.32118043       0.59977883       0.82996849 
          0.54632558       0.59691558       0.88138957 
          0.57054958       0.72234255       0.87959996 
          0.46517230       0.67680593       0.90329206 
          0.36826563       0.81367458       0.82238466 
          0.47166050       0.85831921       0.80145157 
          0.39749305       0.81177835       0.75844212 
          0.78446013       0.73438202       0.80766761 
          0.80557462       0.71165118       0.75097371 
          0.73373211       0.79556944       0.76692294 
          0.68080775       0.50139157       0.78041897 
          0.77623666       0.53460447       0.75996298 
          0.75268918       0.56090236       0.81688922 
          0.63771792       0.64083095       0.71975181 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      46.46   46.47
      48.81   48.82
   
       3562.86108064 
     618534.58630402 
    -779439.42344713 
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      49.86   49.85
      49.86   49.85
   
       2285.63415438 
       2285.65588197 
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      52.30   52.28
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      -2166.65467917 
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      62.42   62.40
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      -2605.11377768 
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      66.66   66.65
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      -2663.68568893 
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      59.17   59.15
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      -2044.01341663 
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      58.58   58.56
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      -2030.96004209 
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      62.44   62.43
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      -2001.92903277 
      -2001.96876994 
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      60.43   60.41
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      -2002.25694947 
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      60.83   60.81
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      -2000.64891390 
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      59.55   59.54
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      57.19   57.18
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      60.69   60.68
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      60.70   60.69
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      62.68   62.66
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      57.26   57.26
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      60.65   60.63
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      59.06   59.05
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      57.15   57.14
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      35.17   35.17
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      21.63   21.63
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           0.92876250       0.57039545       0.39241634 
           0.74069583       0.42512878       0.39241634 
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           0.73470833       0.43086150       0.51409639 
           0.90736250       0.40372878       0.33302530 
           0.76209583       0.59179545       0.21424321 
           0.93238083       0.56763431       0.63817701 
           0.74205395       0.42306822       0.64043566 
           0.90736250       0.40372878       0.21424321 
           0.76719294       0.93115462       0.57484872 
           0.92876250       0.90372878       0.27363425 
           0.74069583       0.75846212       0.27363425 
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           0.92876250       0.90372878       0.39241634 
           0.74069583       0.75846212       0.39241634 
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           0.76209583       0.92512878       0.33302530 
           0.93529797       0.89622547       0.51585524 
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           0.90736250       0.73706212       0.33302530 
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           0.73980960       0.76099579       0.63832261 
           0.90736250       0.73706212       0.21424321 
           0.50434265       0.66612917       0.70770536 
           0.46817224       0.67999221       0.80883125 
           0.69940766       0.64953610       0.77121191 
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           0.75858528       0.72686317       0.77471186 
           0.72819900       0.55675669       0.78307430 
           0.34959087       0.58800029       0.76377779 
           0.40303719       0.51378945       0.81216160 
           0.32118043       0.59977883       0.82996849 
           0.54632558       0.59691558       0.88138957 
           0.57054958       0.72234255       0.87959996 
           0.46517230       0.67680593       0.90329206 
           0.36826563       0.81367458       0.82238466 
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           0.80557462       0.71165118       0.75097371 
           0.73373211       0.79556944       0.76692294 
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           0.77623666       0.53460447       0.75996298 
           0.75268918       0.56090236       0.81688922 
           0.63771792       0.64083095       0.71975181 
   
  
  
          0.01881599      -0.00328191      -0.05763671 
         -0.00428734       0.00550600      -2.33964442 
          0.00667452       0.00209990       0.01204228 
          0.07505065      -0.05094250      -0.92064860 
         -0.01203728       0.01582335       1.38520262 
          0.03468448      -0.01561072      -0.03577747 
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          0.06203984      -0.03098836      -0.09908551 
          0.15891649      -0.16106297      -0.21122656 
         -0.01717518      -0.00509958      -2.33583938 
          0.01967068      -0.01686112      -0.04392073 
          0.04751235      -0.07337753      -0.99347125 
         -0.00541830       0.02463684       1.37256812 
          0.08569927      -0.01101066      -0.03427657 
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          0.14777995       0.00848417      -0.06741632 
          0.15584835       0.15432966      -0.02136801 
         -0.01502061       0.00438694      -2.33851708 
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          0.03608645      -0.04711165      -0.99716763 
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         -0.01643946       0.02963817       1.39664400 
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         -0.00333673      -0.00409375       3.33072374 
         -0.04040762       0.09818105      -0.04088138 
          0.22868415       0.16450025      -0.09220957 
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         -0.00557584      -0.01191703       3.34752674 
         -0.07092471      -0.01669781       2.25989868 
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         -0.02349217      -0.01688956      -0.01329297 
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         -0.03835154      -0.05364170      -0.13604579 
         -0.04373361       0.02903667      -0.07345789 
          0.00511701       0.00594399      -2.34291248 
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          0.05040319      -0.05574052      -1.04023384 
         -0.02385260       0.01824519       1.40911567 
         -0.02407750      -0.00377818      -0.05522201 
          0.00284987      -0.00026527       3.33338672 
         -0.05432098       0.01201091      -0.02675961 
         -0.33490404       0.01992638       0.12255729 
          0.01482778       0.00578911      -2.35186222 
         -0.05698623      -0.01248394       0.05238735 
          0.06259748      -0.03728276      -0.89180973 
         -0.01934449      -0.02931160       1.30447437 
         -0.03375895       0.00530751      -0.21574509 
         -0.00917905      -0.01071414       3.33498936 
          0.04098674       0.24203778      -1.05108428 
         -0.38002749      -0.05025319      -0.21632464 
          0.00133707      -0.00451222      -2.34221254 
         -0.06748745      -0.01341106      -0.00417938 
          0.04923646      -0.06947869      -0.93041781 
         -0.00800103       0.08270947       1.42357384 
         -0.00761293       0.01495971      -0.05968786 
         -0.00015644       0.01475343       3.34257539 
          0.00568651       0.01496536      -0.06291532 
         -0.01038729       0.01919718       0.02964239 
          2.31830437      -2.31697847      -0.85652854 
         -2.30598249       2.31490704      -0.85153891 
          0.01389660       0.01461820       0.02408092 
         -0.00110813       0.00720440       0.01322900 
          1.72698363      -1.73101324       0.15108097 
         -1.78172063       1.78821206       0.21711841 
          0.00875949       0.00846183       0.00832208 
          1.79657728       1.81225068       0.16833844 
         -0.02324259       0.00556380       0.01376684 
         -0.02456443       0.00865646       0.01614980 
         -1.81787691      -1.81329701       0.16498930 
         -0.36212112      -0.35220025      -0.25801912 
         -0.00995602       0.02756325       0.04528809 
         -0.02420767       0.02181966       0.02848595 
          0.35116950       0.35170542      -0.26019508 
         -0.09193614      -0.06359238       0.02252061 
          2.32173417      -2.31005118      -0.86253967 
         -2.30566786       2.30345383      -0.85284967 
         -0.04616293      -0.04686149       0.03436648 
         -0.01751753      -0.01280804       0.01922093 
          1.76498653      -1.69918530       0.16613958 
         -1.76414277       1.75907366       0.22665871 
         -0.00335162      -0.01675056       0.01506063 
          1.78466629       1.80395851       0.15167753 
         -0.05144280       0.02123548      -0.02125026 
         -0.03292092       0.01921374       0.05562306 
         -1.81581097      -1.80036433       0.15666514 
         -0.36157109      -0.34725291      -0.26327587 
         -0.08971032       0.04644477       0.08919662 
         -0.07085378       0.06269059      -0.00009385 
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          2.32742954      -2.31284403      -0.84878274 
         -2.30225853       2.30767594      -0.85732722 
         -0.08695825      -0.06711163       0.02191386 
         -0.01602073      -0.01107084       0.00846231 
          1.74993543      -1.74123103       0.14445198 
         -1.77455226       1.76454916       0.22420083 
         -0.01507201      -0.02796246       0.01797035 
          1.79753056       1.80201109       0.15800518 
         -0.04422985       0.02665169      -0.06118230 
         -0.03641628       0.00354477       0.03488309 
         -1.79103956      -1.79894135       0.15898214 
         -0.36206151      -0.36206005      -0.26089871 
         -0.12464355       0.13958982       0.11327502 
         -0.06929918       0.02088279       0.01569332 
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          2.30266118      -2.31504502      -0.85758327 
         -2.30893806       2.31106038      -0.85528950 
          0.00686535       0.02063766       0.02506102 
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          1.73657737      -1.74807531       0.16448592 
         -1.78626011       1.77854919       0.22766259 
         -0.00483355       0.01299171       0.01331670 
          1.80256949       1.80464689       0.15164638 
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         -0.35258477      -0.35037413      -0.26120689 
          0.01239110      -0.00820738       0.03698085 
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         -0.24581652      -0.28003991      -0.24341483 
          2.30044912      -2.30940237      -0.84933387 
         -2.30736253       2.30412993      -0.86185378 
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         -0.01044470      -0.01734550      -0.03537185 
          1.73047776      -1.71948103       0.23140356 
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         -0.01123536      -0.01172328       0.01097463 
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          0.05263133      -0.00932299      -0.04399909 
         -0.00091988      -0.02808335      -0.02077868 
         -1.78159952      -1.77505308       0.15927189 
         -0.34967651      -0.34193811      -0.26481263 
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          2.30510752      -2.31028943      -0.85516769 
         -2.30688793       2.30419687      -0.85109343 
          0.34057690       0.32985640      -0.26002546 
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          1.70237151      -1.76866433       0.16712723 
         -1.74987465       1.74500740       0.28017629 
          0.02657820       0.02324242      -0.03449062 
          1.79063677       1.77973379       0.15968620 
          0.02005551      -0.00024431       0.02413883 
         -0.01699213       0.01255895      -0.07351168 
         -1.84308376      -1.85785232       0.21924768 
         -0.35545031      -0.36520775      -0.26699327 
          0.04251911       0.02008964       0.01029506 
         -0.43291598       0.42968623      -0.38304214 
          0.35403181       0.34171840      -0.26446070 
         -0.00180256       0.01195828       0.02649036 
          2.31204440      -2.31908742      -0.85151140 
         -2.30841276       2.31189143      -0.85757980 
         -0.00997434      -0.00101108       0.02562030 
         -0.00269428       0.00858387       0.01868872 
          1.76676211      -1.77307190       0.17741078 
         -1.75886086       1.75183970       0.21292691 
         -0.01417190       0.00151633       0.02438161 
          1.82223678       1.81343978       0.16184481 
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         -1.81148786      -1.80676789       0.16723380 
         -0.34405172      -0.35300999      -0.26022314 
         -0.00199459       0.01481426       0.03023710 
          0.02055818      -0.01886232       0.04662576 
          0.35078411       0.35128935      -0.25875520 
          0.27972533       0.26738492       0.22202912 
          2.30807591      -2.31065731      -0.85541685 
         -2.32020677       2.31077018      -0.84607472 
          0.05342453       0.05623735       0.03065481 
          0.03810399       0.03449940       0.05904185 
          1.71872942      -1.73299315       0.19535940 
         -1.77559313       1.78546470       0.22057836 
          0.01028066       0.00572727       0.01909200 
          1.81014621       1.81338148       0.18791961 
         -0.02631053       0.04202231       0.06497999 
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         -1.80934870      -1.79807879       0.16542729 
         -0.34575215      -0.34870278      -0.26510235 
         -0.30514519       0.25077847       0.38730974 
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         -0.00033757      -0.01428475       0.03506887 
          2.30874249      -2.30240495      -0.85826122 
         -2.31259106       2.30740435      -0.85739967 
         -0.29623705      -0.32644602       0.22672704 
         -0.00234163      -0.00164174       0.02360504 
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         -1.79185382       1.72791895       0.26181352 
         -0.02595689      -0.03336342       0.05786433 
          1.80889592       1.79027411       0.15868926 
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         -1.82653253      -1.82986591       0.17803565 
         -0.34669359      -0.36454256      -0.26381567 
          0.00801133      -0.04296437       0.00980614 
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          0.35050489       0.34303116      -0.26089643 
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         -0.81638535       0.42492553      -3.05211805 
         -8.46306796      -0.93701041      -4.34264210 
          1.28680147      -1.00427048      -0.60296352 
          2.69823393      -0.63095828      -0.65947775 
          2.73067815      -1.96431982      -0.54297092 
         -8.36497502       0.86546264      -2.57770608 
         -5.79605479       2.87932577      -3.11406127 
         -0.73956635      -0.21229219      -1.71029040 
          0.26814239      -0.27285043      -0.05553529 
         -1.63296549       0.59898412       1.56442248 
          0.60963280      -0.65065509       0.10676872 
          1.15221064       0.72410312       0.55157065 
         -2.39177500       0.55466216       1.83101981 
         -3.39840764       0.64088273       3.00538205 
          1.90009254       1.68653431       0.56618849 
         -1.23904314       0.03109946      -3.20605381 
          4.90807210       0.83049873      11.00349252 
          9.09258829      -1.54729860      -7.45022101 
         -1.78491984       2.12167247      -1.14502485 
         -3.27052181      -2.05254553      -0.11799236 
          7.01690231      -2.79394768      -5.69902455 
          4.32590029      -0.11813125      10.43648639 
          0.96588776       0.95988333       3.07095007 
  
  
        -19.74804633       1.98007701      -0.36490147 
          1.98007720     -23.97882757       1.08575558 
         -0.36490144       1.08575631     -33.02850118 
  
  
     -2000.17115107 
     -2000.22163251 
     -2000.18797822 
  
   1902.92 1902.55
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.4372    1.0000 
         -57.3359    1.0000 
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