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 
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       4740.99950739 
    
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           0.00051355       0.83064787       0.21488509 
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           0.33384688       0.16398120       0.21488509 
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           0.50051355       0.66398120       0.39305822 
           0.33384688       0.49731454       0.33366718 
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           0.33384688       0.49731454       0.21488509 
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           0.33384688       0.83064787       0.33366718 
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           0.33384688       0.83064787       0.21488509 
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           0.83384688       0.33064787       0.39305822 
           0.66718022       0.16398120       0.33366718 
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           0.66718022       0.16398120       0.21488509 
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           0.83384688       0.66398120       0.27427613 
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           0.66718022       0.49731454       0.21488509 
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           0.83384688       0.99731454       0.27427613 
           0.66616559       0.82880927       0.46182332 
           0.83384688       0.99731454       0.39305822 
           0.66718022       0.83064787       0.33366718 
           0.83306080       0.99637731       0.50877930 
           0.66718022       0.83064787       0.21488509 
           0.83295152       0.99695528       0.62448726 
           0.10037337       0.26317445       0.57595755 
           0.26121355       0.23661454       0.27427613 
           0.07314688       0.09134787       0.27427613 
           0.23372422       0.06438103       0.57550601 
           0.10145268       0.26455612       0.45563420 
           0.26121355       0.23661454       0.39305822 
           0.07314688       0.09134787       0.39305822 
           0.23267445       0.06352535       0.45542098 
           0.09454688       0.25801454       0.33366718 
           0.26820195       0.22970842       0.51623253 
           0.06612835       0.09813570       0.51621549 
           0.23981355       0.06994787       0.33366718 
           0.09454688       0.25801454       0.21488509 
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           0.07129113       0.09285318       0.64083489 
           0.23981355       0.06994787       0.21488509 
           0.10059528       0.59624414       0.57544888 
           0.26121355       0.56994787       0.27427613 
           0.07314688       0.42468120       0.27427613 
           0.23465554       0.39779062       0.57569736 
           0.10123155       0.59761822       0.45523405 
           0.26121355       0.56994787       0.39305822 
           0.07314688       0.42468120       0.39305822 
           0.23353797       0.39686551       0.45547340 
           0.09454688       0.59134787       0.33366718 
           0.26836201       0.56351786       0.51644850 
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           0.23981355       0.40328120       0.33366718 
           0.09454688       0.59134787       0.21488509 
           0.26084066       0.56913484       0.64088597 
           0.07230354       0.42481136       0.64025236 
           0.23981355       0.40328120       0.21488509 
           0.09924317       0.92996404       0.57559565 
           0.26121355       0.90328120       0.27427613 
           0.07314688       0.75801454       0.27427613 
           0.23083669       0.73189623       0.57473093 
           0.10055350       0.93148885       0.45535941 
           0.26121355       0.90328120       0.39305822 
           0.07314688       0.75801454       0.39305822 
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           0.09454688       0.92468120       0.33366718 
           0.26730053       0.89680647       0.51502276 
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           0.23981355       0.73661454       0.33366718 
           0.09454688       0.92468120       0.21488509 
           0.25982758       0.90419664       0.64077365 
           0.07141906       0.75889331       0.64078828 
           0.23981355       0.73661454       0.21488509 
           0.43281756       0.26279962       0.57578243 
           0.59454688       0.23661454       0.27427613 
           0.40648022       0.09134787       0.27427613 
           0.56742002       0.06450149       0.57570028 
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           0.59454688       0.23661454       0.39305822 
           0.40648022       0.09134787       0.39305822 
           0.56663674       0.06306839       0.45529420 
           0.42788022       0.25801454       0.33366718 
           0.60111940       0.22909031       0.51584825 
           0.39969825       0.09839623       0.51580287 
           0.57314688       0.06994787       0.33366718 
           0.42788022       0.25801454       0.21488509 
           0.59542737       0.23415077       0.64023831 
           0.40452391       0.09293381       0.64039020 
           0.57314688       0.06994787       0.21488509 
           0.43289519       0.59619067       0.57973821 
           0.59454688       0.56994787       0.27427613 
           0.40648022       0.42468120       0.27427613 
           0.56820716       0.39410930       0.57487970 
           0.43518586       0.59849728       0.45698279 
           0.59454688       0.56994787       0.39305822 
           0.40648022       0.42468120       0.39305822 
           0.56640787       0.39665422       0.45543481 
           0.42788022       0.59134787       0.33366718 
           0.60191494       0.56238463       0.51634805 
           0.40018820       0.43170225       0.51657751 
           0.57314688       0.40328120       0.33366718 
           0.42788022       0.59134787       0.21488509 
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           0.57314688       0.40328120       0.21488509 
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           0.73981355       0.09134787       0.39305822 
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           0.76621517       0.93108100       0.57539806 
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           0.65711444       0.64808600       0.72027735 
   
  
  
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          1        1        1 
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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
     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
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          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       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 
   
  
  
          0.00071643       0.16379300       0.59194395 
          0.16718022       0.33064787       0.27427613 
          0.00052317       0.16390857       0.46146023 
          0.16718022       0.33064787       0.39305822 
          0.00051355       0.16398120       0.33366718 
          0.16849076       0.33092494       0.50879717 
          0.00051355       0.16398120       0.21488509 
          0.16809816       0.33104925       0.62458497 
          0.00180292       0.49553894       0.59035984 
          0.16718022       0.66398120       0.27427613 
          0.00084563       0.49721354       0.46135270 
          0.16718022       0.66398120       0.39305822 
          0.00051355       0.49731454       0.33366718 
          0.16707506       0.66372644       0.50881875 
          0.00051355       0.49731454       0.21488509 
          0.16687100       0.66398367       0.62458406 
          0.99921928       0.82978272       0.59187387 
          0.16718022       0.99731454       0.27427613 
          0.00004696       0.83036115       0.46178447 
          0.16718022       0.99731454       0.39305822 
          0.00051355       0.83064787       0.33366718 
          0.16605560       0.99783373       0.50865275 
          0.00051355       0.83064787       0.21488509 
          0.16637558       0.99709930       0.62475730 
          0.33321944       0.16366278       0.59143800 
          0.50051355       0.33064787       0.27427613 
          0.33405013       0.16391457       0.46146250 
          0.50051355       0.33064787       0.39305822 
          0.33384688       0.16398120       0.33366718 
          0.50058434       0.33064424       0.50877339 
          0.33384688       0.16398120       0.21488509 
          0.50044893       0.32996704       0.62464195 
          0.33690950       0.50013876       0.59246110 
          0.50051355       0.66398120       0.27427613 
          0.33518194       0.49844659       0.46211814 
          0.50051355       0.66398120       0.39305822 
          0.33384688       0.49731454       0.33366718 
          0.50028555       0.66354668       0.51261732 
          0.33384688       0.49731454       0.21488509 
          0.50019827       0.66559724       0.63411570 
          0.32982836       0.83406289       0.58841247 
          0.50051355       0.99731454       0.27427613 
          0.33424021       0.83003495       0.46084394 
          0.50051355       0.99731454       0.39305822 
          0.33384688       0.83064787       0.33366718 
          0.50055540       0.99710441       0.50879833 
          0.33384688       0.83064787       0.21488509 
          0.49970763       0.99735142       0.62477095 
          0.66695027       0.16351569       0.59120239 
          0.83384688       0.33064787       0.27427613 
          0.66718737       0.16354482       0.46148976 
          0.83384688       0.33064787       0.39305822 
          0.66718022       0.16398120       0.33366718 
          0.83451649       0.32972672       0.50850901 
          0.66718022       0.16398120       0.21488509 
          0.83398048       0.32966915       0.62448577 
          0.67021218       0.49407561       0.58872903 
          0.83384688       0.66398120       0.27427613 
          0.66728897       0.49802449       0.46096374 
          0.83384688       0.66398120       0.39305822 
          0.66718022       0.49731454       0.33366718 
          0.83438452       0.66430664       0.50979184 
          0.66718022       0.49731454       0.21488509 
          0.83297027       0.66169382       0.62702116 
          0.66319210       0.82936085       0.59138733 
          0.83384688       0.99731454       0.27427613 
          0.66616559       0.82880927       0.46182332 
          0.83384688       0.99731454       0.39305822 
          0.66718022       0.83064787       0.33366718 
          0.83306080       0.99637731       0.50877930 
          0.66718022       0.83064787       0.21488509 
          0.83295152       0.99695528       0.62448726 
          0.10037337       0.26317445       0.57595755 
          0.26121355       0.23661454       0.27427613 
          0.07314688       0.09134787       0.27427613 
          0.23372422       0.06438103       0.57550601 
          0.10145268       0.26455612       0.45563420 
          0.26121355       0.23661454       0.39305822 
          0.07314688       0.09134787       0.39305822 
          0.23267445       0.06352535       0.45542098 
          0.09454688       0.25801454       0.33366718 
          0.26820195       0.22970842       0.51623253 
          0.06612835       0.09813570       0.51621549 
          0.23981355       0.06994787       0.33366718 
          0.09454688       0.25801454       0.21488509 
          0.26227638       0.23454744       0.64032477 
          0.07129113       0.09285318       0.64083489 
          0.23981355       0.06994787       0.21488509 
          0.10059528       0.59624414       0.57544888 
          0.26121355       0.56994787       0.27427613 
          0.07314688       0.42468120       0.27427613 
          0.23465554       0.39779062       0.57569736 
          0.10123155       0.59761822       0.45523405 
          0.26121355       0.56994787       0.39305822 
          0.07314688       0.42468120       0.39305822 
          0.23353797       0.39686551       0.45547340 
          0.09454688       0.59134787       0.33366718 
          0.26836201       0.56351786       0.51644850 
          0.06658532       0.43139325       0.51603416 
          0.23981355       0.40328120       0.33366718 
          0.09454688       0.59134787       0.21488509 
          0.26084066       0.56913484       0.64088597 
          0.07230354       0.42481136       0.64025236 
          0.23981355       0.40328120       0.21488509 
          0.09924317       0.92996404       0.57559565 
          0.26121355       0.90328120       0.27427613 
          0.07314688       0.75801454       0.27427613 
          0.23083669       0.73189623       0.57473093 
          0.10055350       0.93148885       0.45535941 
          0.26121355       0.90328120       0.39305822 
          0.07314688       0.75801454       0.39305822 
          0.23296283       0.72998487       0.45539419 
          0.09454688       0.92468120       0.33366718 
          0.26730053       0.89680647       0.51502276 
          0.06537489       0.76421025       0.51601720 
          0.23981355       0.73661454       0.33366718 
          0.09454688       0.92468120       0.21488509 
          0.25982758       0.90419664       0.64077365 
          0.07141906       0.75889331       0.64078828 
          0.23981355       0.73661454       0.21488509 
          0.43281756       0.26279962       0.57578243 
          0.59454688       0.23661454       0.27427613 
          0.40648022       0.09134787       0.27427613 
          0.56742002       0.06450149       0.57570028 
          0.43420473       0.26455691       0.45531158 
          0.59454688       0.23661454       0.39305822 
          0.40648022       0.09134787       0.39305822 
          0.56663674       0.06306839       0.45529420 
          0.42788022       0.25801454       0.33366718 
          0.60111940       0.22909031       0.51584825 
          0.39969825       0.09839623       0.51580287 
          0.57314688       0.06994787       0.33366718 
          0.42788022       0.25801454       0.21488509 
          0.59542737       0.23415077       0.64023831 
          0.40452391       0.09293381       0.64039020 
          0.57314688       0.06994787       0.21488509 
          0.43289519       0.59619067       0.57973821 
          0.59454688       0.56994787       0.27427613 
          0.40648022       0.42468120       0.27427613 
          0.56820716       0.39410930       0.57487970 
          0.43518586       0.59849728       0.45698279 
          0.59454688       0.56994787       0.39305822 
          0.40648022       0.42468120       0.39305822 
          0.56640787       0.39665422       0.45543481 
          0.42788022       0.59134787       0.33366718 
          0.60191494       0.56238463       0.51634805 
          0.40018820       0.43170225       0.51657751 
          0.57314688       0.40328120       0.33366718 
          0.42788022       0.59134787       0.21488509 
          0.60009004       0.56320736       0.63379260 
          0.40552729       0.42407372       0.64093392 
          0.57314688       0.40328120       0.21488509 
          0.43241653       0.93272459       0.57483701 
          0.59454688       0.90328120       0.27427613 
          0.40648022       0.75801454       0.27427613 
          0.56715956       0.73167655       0.57944482 
          0.43441008       0.93127853       0.45536839 
          0.59454688       0.90328120       0.39305822 
          0.40648022       0.75801454       0.39305822 
          0.56582462       0.72908853       0.45712240 
          0.42788022       0.92468120       0.33366718 
          0.60089600       0.89617707       0.51621432 
          0.39901858       0.76497767       0.51596470 
          0.57314688       0.73661454       0.33366718 
          0.42788022       0.92468120       0.21488509 
          0.59452763       0.90442349       0.64103760 
          0.39900434       0.76284568       0.63363640 
          0.57314688       0.73661454       0.21488509 
          0.76660031       0.26259632       0.57527905 
          0.92788022       0.23661454       0.27427613 
          0.73981355       0.09134787       0.27427613 
          0.90111291       0.06424172       0.57599496 
          0.76821104       0.26395236       0.45520843 
          0.92788022       0.23661454       0.39305822 
          0.73981355       0.09134787       0.39305822 
          0.89990820       0.06302837       0.45561210 
          0.76121355       0.25801454       0.33366718 
          0.93480705       0.22943486       0.51610310 
          0.73269723       0.09796802       0.51616017 
          0.90648022       0.06994787       0.33366718 
          0.76121355       0.25801454       0.21488509 
          0.92952640       0.23435432       0.64076952 
          0.73842063       0.09275882       0.64020746 
          0.90648022       0.06994787       0.21488509 
          0.76960077       0.59533280       0.57586924 
          0.92788022       0.56994787       0.27427613 
          0.73981355       0.42468120       0.27427613 
          0.90133621       0.39652579       0.57514906 
          0.76813905       0.59835905       0.45597768 
          0.92788022       0.56994787       0.39305822 
          0.73981355       0.42468120       0.39305822 
          0.90033062       0.39614434       0.45528813 
          0.76121355       0.59134787       0.33366718 
          0.93534323       0.56298632       0.51584090 
          0.73363800       0.43057339       0.51481252 
          0.90648022       0.40328120       0.33366718 
          0.76121355       0.59134787       0.21488509 
          0.93173625       0.56696841       0.63852823 
          0.74120248       0.42247768       0.64105219 
          0.90648022       0.40328120       0.21488509 
          0.76621517       0.93108100       0.57539806 
          0.92788022       0.90328120       0.27427613 
          0.73981355       0.75801454       0.27427613 
          0.90119935       0.73085013       0.57750090 
          0.76752432       0.93094515       0.45545143 
          0.92788022       0.90328120       0.39305822 
          0.73981355       0.75801454       0.39305822 
          0.89966051       0.73004537       0.45567275 
          0.76121355       0.92468120       0.33366718 
          0.93418355       0.89590661       0.51650695 
          0.73279276       0.76433889       0.51643460 
          0.90648022       0.73661454       0.33366718 
          0.76121355       0.92468120       0.21488509 
          0.92869309       0.90221091       0.64073499 
          0.73863040       0.76110592       0.63848067 
          0.90648022       0.73661454       0.21488509 
          0.50595684       0.66850586       0.70834210 
          0.46676100       0.68494945       0.80098867 
          0.72049129       0.65013150       0.76112911 
          0.37247247       0.59448072       0.79856459 
          0.52430613       0.67010373       0.86431483 
          0.42339128       0.80942771       0.79146352 
          0.78048178       0.72647788       0.76912374 
          0.74464625       0.55690562       0.77599874 
          0.34004868       0.59670418       0.76018904 
          0.39692285       0.52096163       0.80653319 
          0.31944379       0.60920656       0.82740716 
          0.55226765       0.59813468       0.86966114 
          0.57973874       0.72297011       0.86779395 
          0.47630434       0.67978237       0.89555479 
          0.37358891       0.82233139       0.81985714 
          0.47558905       0.86298204       0.79398702 
          0.39281818       0.81990450       0.75448729 
          0.79778306       0.73404492       0.80415131 
          0.83319662       0.70969639       0.74929942 
          0.75890462       0.79548341       0.75885822 
          0.69671110       0.50253264       0.76993061 
          0.79784712       0.53357942       0.75667656 
          0.76060832       0.56151893       0.81170018 
          0.65711444       0.64808600       0.72027735 
  
  
     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 
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      46.60   46.61
      49.91   49.91
   
       3562.86108064 
     620084.80978493 
    -780990.64773375 
       8570.25267441 
     142168.17908458 
    -141005.46113447 
          0.00017090 
      -6058.25537830 
     178322.42096012 
      24654.15950906 
      24654.15933816 
      24654.15945210 
   
  
  
      49.49   49.49
      49.50   49.49
   
       2304.41130068 
       2304.42887558 
       2304.41715898 
   
  
  
      51.91   51.90
      51.91   51.90
   
      -2160.29541982 
      -2160.23900087 
      -2160.27661350 
   
  
  
      61.68   61.66
      61.68   61.67
   
      -2605.36609671 
      -2605.30967775 
      -2605.34729039 
   
  
  
      66.31   66.30
      66.74   66.72
   
      -2664.87026759 
      -2664.81384863 
      -2664.85146127 
   
  
  
      58.47   58.47
      60.27   60.27
   
      -2045.50010487 
      -2045.56326554 
      -2045.52115843 
   
  
  
      58.17   58.17
      60.00   59.99
   
      -2032.49450615 
      -2032.45564068 
      -2032.48155099 
   
  
  
      61.36   61.35
      63.20   63.18
   
      -2003.69602926 
      -2003.73503226 
      -2003.70903026 
   
  
  
      60.57   60.55
      62.39   62.38
   
      -2003.92005072 
      -2004.02629174 
      -2003.95546440 
   
  
  
      60.50   60.50
      62.40   62.39
   
      -2002.49156652 
      -2002.52888347 
      -2002.50400551 
   
  
  
      60.74   60.73
      62.73   62.72
   
      -2002.00726006 
      -2002.03826979 
      -2002.01759663 
   
  
  
      57.22   57.21
      59.11   59.10
   
      -2002.23136825 
      -2002.28240067 
      -2002.24837905 
   
  
  
      62.47   62.46
      64.36   64.35
   
      -2002.04870831 
      -2002.09242868 
      -2002.06328176 
   
  
  
      59.18   59.16
      61.04   61.02
   
      -2001.99085465 
      -2002.04705181 
      -2002.00958704 
   
  
  
      59.53   59.52
      61.85   61.84
   
      -2001.93077411 
      -2001.97135471 
      -2001.94430097 
   
  
  
      57.95   57.94
      60.56   60.55
   
      -2001.93141253 
      -2001.97344536 
      -2001.94542347 
   
  
  
      60.41   60.40
      62.68   62.66
   
      -2001.92498477 
      -2001.96533293 
      -2001.93843416 
   
  
  
      58.86   58.84
      60.81   60.79
   
      -2001.92473601 
      -2001.96607771 
      -2001.93851657 
   
  
  
      63.11   63.08
      64.99   64.97
   
      -2001.94396270 
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      -2001.96074954 
   
  
  
      56.07   56.06
      58.10   58.09
   
      -2001.92802653 
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      -2001.94208835 
   
  
  
      56.26   56.24
      58.16   58.14
   
      -2001.92700407 
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      -2001.93976735 
   
  
  
      55.02   55.01
      56.88   56.87
   
      -2001.93190929 
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      54.50   54.49
      56.44   56.44
   
      -2001.93371839 
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      50.60   50.59
      52.49   52.47
   
      -2001.93716836 
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      52.01   52.01
      54.45   54.45
   
      -2001.93952467 
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      -2001.95226200 
   
  
  
      48.19   48.18
      50.68   50.67
   
      -2001.94091192 
      -2001.97899888 
      -2001.95360757 
   
  
  
      47.07   47.05
      50.50   50.48
   
      -2001.94170196 
      -2001.97978671 
      -2001.95439688 
   
  
  
      41.92   41.92
      45.48   45.49
   
      -2001.94228308 
      -2001.98041648 
      -2001.95499421 
   
  
  
      43.52   43.50
      46.47   46.46
   
      -2001.94299236 
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      39.00   38.99
      40.95   40.95
   
      -2001.94319036 
      -2001.98132493 
      -2001.95590188 
   
  
  
      36.60   36.60
      38.56   38.56
   
      -2001.94328666 
      -2001.98140721 
      -2001.95599351 
   
  
  
      34.19   34.18
      36.13   36.12
   
      -2001.94332575 
      -2001.98144329 
      -2001.95603159 
   
  
  
      32.63   32.62
      34.53   34.53
   
      -2001.94338069 
      -2001.98150082 
      -2001.95608740 
   
  
  
      26.05   26.04
      28.58   28.57
   
      -2001.94340858 
      -2001.98153156 
      -2001.95611624 
   
  
  
      18.92   18.92
      21.52   21.52
   
       3562.86108064 
     620084.80978493 
    -783659.58183682 
       8640.08947803 
     203148.71983422 
    -201777.42556665 
          0.03812500 
     -30323.87527557 
     178322.42096012 
      -2001.94341610 
      -2001.98154110 
      -2001.95612444 
   
  
  
   
    
           13.83534000       0.00000000       0.00000000 
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       4740.99950739 
    
            0.07227867       0.00000000       0.00000000 
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           0.57314688       0.40328120       0.33366718 
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           0.57314688       0.40328120       0.21488509 
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           0.59454688       0.90328120       0.27427613 
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           0.42788022       0.92468120       0.21488509 
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           0.57314688       0.73661454       0.21488509 
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           0.73981355       0.42468120       0.39305822 
           0.90033062       0.39614434       0.45528813 
           0.76121355       0.59134787       0.33366718 
           0.93534323       0.56298632       0.51584090 
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           0.90648022       0.40328120       0.33366718 
           0.76121355       0.59134787       0.21488509 
           0.93173625       0.56696841       0.63852823 
           0.74120248       0.42247768       0.64105219 
           0.90648022       0.40328120       0.21488509 
           0.76621517       0.93108100       0.57539806 
           0.92788022       0.90328120       0.27427613 
           0.73981355       0.75801454       0.27427613 
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           0.92788022       0.90328120       0.39305822 
           0.73981355       0.75801454       0.39305822 
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           0.93418355       0.89590661       0.51650695 
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           0.90648022       0.73661454       0.33366718 
           0.76121355       0.92468120       0.21488509 
           0.92869309       0.90221091       0.64073499 
           0.73863040       0.76110592       0.63848067 
           0.90648022       0.73661454       0.21488509 
           0.50595684       0.66850586       0.70834210 
           0.46676100       0.68494945       0.80098867 
           0.72049129       0.65013150       0.76112911 
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           0.52430613       0.67010373       0.86431483 
           0.42339128       0.80942771       0.79146352 
           0.78048178       0.72647788       0.76912374 
           0.74464625       0.55690562       0.77599874 
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           0.39692285       0.52096163       0.80653319 
           0.31944379       0.60920656       0.82740716 
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           0.57973874       0.72297011       0.86779395 
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           0.65711444       0.64808600       0.72027735 
   
  
  
          0.02303083      -0.00323701      -0.08610069 
          0.00134005       0.00186515      -2.34741356 
          0.00617003      -0.00101023      -0.02395210 
          0.03695880      -0.01309070      -0.94933337 
         -0.00048772      -0.00106927       1.37980322 
          0.03511153      -0.01941623      -0.06678680 
          0.00173316       0.00279748       3.33057781 
          0.06434922      -0.05122859      -0.11218095 
          0.20515218      -0.20112426      -0.26376555 
         -0.01588850      -0.00317761      -2.34264247 
          0.02061346      -0.02287388      -0.08324558 
          0.00569404      -0.02892703      -1.02432131 
          0.01045494      -0.00103774       1.36269220 
          0.07985567      -0.00791250      -0.07608702 
         -0.00009839      -0.01100198       3.33570169 
          0.14089859       0.01647145      -0.07830241 
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         -0.01538753       0.00145669      -2.35230259 
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         -0.00405984      -0.00010043      -2.37640998 
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         -0.00164770      -0.01071947      -0.40066464 
         -0.02719436      -0.03652482       1.46697329 
         -0.04755721       0.00051312       0.05961864 
          0.00247482      -0.00976010       3.34632140 
         -0.10464585       0.00576113       1.99159730 
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         -0.03030055       0.03483908       1.29847755 
         -0.03284062      -0.00504682      -0.05770528 
          0.00511690       0.00489068       3.33907266 
         -0.06182310      -0.01852071      -0.15871321 
         -0.03754901       0.03024579      -0.10091664 
          0.00651548      -0.00173842      -2.35015112 
         -0.01882164       0.01382363      -0.02454048 
          0.00976539      -0.02200043      -1.07133597 
         -0.00912651       0.00695167       1.40103919 
         -0.01292504      -0.01847430      -0.09346415 
         -0.00017375       0.00169229       3.33814848 
         -0.03489770      -0.02415659      -0.04267974 
         -0.31926934      -0.04084267       0.06614011 
          0.01588240       0.00878402      -2.36234939 
         -0.06677297      -0.02239163       0.00073344 
          0.02296014       0.00681321      -0.89929133 
         -0.00102940      -0.05076132       1.30160268 
         -0.01918040       0.00927266      -0.29962245 
         -0.00820392      -0.01215157       3.33787336 
          0.04144131       0.24965869      -1.18498331 
         -0.37213274       0.01902766      -0.27253877 
          0.00130615      -0.00682081      -2.34810869 
         -0.05730740      -0.00366791      -0.05635560 
          0.01014788      -0.02787925      -0.95703139 
          0.00754437       0.06839225       1.40843546 
         -0.00481198       0.01692539      -0.09773888 
         -0.00719454       0.01247867       3.34487960 
          0.02058007       0.03841349      -0.08352963 
         -0.00977094       0.02442522       0.03871027 
          2.31564261      -2.31427741      -0.85611175 
         -2.30902117       2.31747583      -0.85253638 
          0.01623666       0.01315492       0.03583618 
         -0.00277922       0.01006647       0.03115123 
          1.73994811      -1.74390570       0.17833236 
         -1.76944888       1.77536458       0.19848082 
          0.00752521       0.00591805       0.02719949 
          1.79901055       1.81088929       0.17516489 
         -0.02564241       0.00581546       0.03129049 
         -0.02204222       0.00523398       0.03361782 
         -1.82028726      -1.81615287       0.17443744 
         -0.36142101      -0.35249252      -0.25750596 
         -0.00921834       0.03069769       0.04618950 
         -0.01894281       0.01788215       0.03235568 
          0.34848360       0.35056908      -0.25777851 
         -0.09935435      -0.06922267       0.03792975 
          2.32016531      -2.31094641      -0.86128755 
         -2.30887717       2.30431841      -0.85164961 
         -0.03112945      -0.03635567       0.04732012 
         -0.01909677      -0.01255474       0.04214443 
          1.77836100      -1.71406169       0.19544834 
         -1.75510762       1.74678516       0.20922966 
          0.00119048      -0.01623239       0.03314127 
          1.78452607       1.80419240       0.15910426 
         -0.05008849       0.02332047       0.00334787 
         -0.03924680       0.02301075       0.08371173 
         -1.81690096      -1.80117781       0.16638801 
         -0.36023079      -0.34504343      -0.26259536 
         -0.07476984       0.04219815       0.09323103 
         -0.08556054       0.07757877      -0.00919957 
          0.35014687       0.36315613      -0.26003566 
         -0.06495775      -0.05754806       0.03812067 
          2.32553858      -2.31299683      -0.84716606 
         -2.30569433       2.30822330      -0.85840374 
         -0.07893898      -0.06095236       0.04125839 
         -0.02036318      -0.01530139       0.02817545 
          1.76368217      -1.75660108       0.17747208 
         -1.76335936       1.74850069       0.20514402 
         -0.01342932      -0.02851987       0.04083912 
          1.79997024       1.80036990       0.16773623 
         -0.03817534       0.01800339      -0.03172218 
         -0.03419374       0.00229978       0.05627750 
         -1.79084310      -1.79466601       0.16601050 
         -0.36019700      -0.36371206      -0.25909157 
         -0.10027273       0.11479484       0.10542234 
         -0.07481020       0.01547622       0.01563890 
          0.35197043       0.35072008      -0.26618939 
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          2.30129637      -2.31274377      -0.85782318 
         -2.30550257       2.31437294      -0.85593483 
          0.00199911       0.01586667       0.04049235 
          0.02119633       0.01130898       0.02956002 
          1.74733383      -1.76002009       0.19043533 
         -1.76825884       1.76521141       0.20819318 
         -0.00644266       0.01067517       0.03437794 
          1.80136276       1.80223760       0.15987746 
          0.00423552      -0.00790331       0.02732419 
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         -1.80536386      -1.81041593       0.16335743 
         -0.35458459      -0.35110146      -0.25919867 
          0.00526161       0.00176196       0.04240979 
          0.03576119      -0.01215289       0.05981278 
          0.35645578       0.34961824      -0.26017724 
         -0.17753895      -0.21583088      -0.16568177 
          2.30242254      -2.30914025      -0.85012184 
         -2.30443513       2.30431201      -0.86226809 
          0.00101464      -0.00509099       0.03505544 
          0.00570202      -0.01042734      -0.00639642 
          1.74747385      -1.73023727       0.26656869 
         -1.71046272       1.76159077       0.19653627 
         -0.00650803      -0.00728993       0.03063459 
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          0.04731000      -0.00148298      -0.00362955 
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         -1.78176260      -1.77467519       0.16921762 
         -0.35030032      -0.34005122      -0.26192227 
          0.41141373      -0.27592545      -0.26582235 
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          2.30638604      -2.31046129      -0.85201448 
         -2.30288292       2.30634236      -0.85230148 
          0.28807604       0.28402517      -0.18069015 
          0.03344789       0.01653063       0.03398922 
          1.71945142      -1.78847087       0.20057843 
         -1.72998154       1.72953696       0.26353094 
          0.02381643       0.01632559      -0.00592483 
          1.79074150       1.77724867       0.16803724 
          0.02066995      -0.01194741       0.05531680 
         -0.00760106       0.00623352      -0.03892145 
         -1.84532350      -1.85728987       0.23027927 
         -0.35622501      -0.36648261      -0.26560925 
          0.06226770      -0.00833234       0.01613285 
         -0.35203623       0.35656225      -0.32586506 
          0.35349582       0.34441895      -0.26359654 
         -0.00168048       0.01870699       0.04115068 
          2.31055137      -2.31583748      -0.85316719 
         -2.31331179       2.31353786      -0.85721425 
         -0.01534856      -0.00341184       0.03578845 
         -0.00331775       0.01362409       0.04071766 
          1.77867388      -1.78073856       0.20000659 
         -1.74964132       1.74108152       0.19457751 
         -0.01589341       0.00086007       0.04201179 
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          0.03567740      -0.02205591       0.04087913 
         -1.80421200      -1.80806120       0.17331879 
         -0.34509973      -0.35302343      -0.25941566 
         -0.01121347       0.02767464       0.03530336 
          0.02130041      -0.02208273       0.05170143 
          0.35642901       0.35115633      -0.25858609 
          0.31035600       0.30424657       0.27281459 
          2.30619547      -2.30932064      -0.85423014 
         -2.32305626       2.31241404      -0.84388655 
          0.05490755       0.06539769       0.04628918 
          0.03825322       0.03849151       0.08271999 
          1.72685323      -1.74290131       0.22697454 
         -1.76732534       1.77859645       0.20596294 
          0.00484637       0.00679472       0.03972376 
          1.81259203       1.81706225       0.20136793 
         -0.02976845       0.05273977       0.09232400 
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         -1.80260462      -1.79792051       0.17222268 
         -0.34712401      -0.34784485      -0.26191429 
         -0.38594447       0.31791283       0.46379061 
          0.08411451       0.00061591       0.10911509 
          0.35708278       0.36182741      -0.26066994 
         -0.01643640      -0.03479515       0.05100087 
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         -2.31686398       2.30859781      -0.85598371 
         -0.35482368      -0.38725298       0.27648670 
         -0.00754002      -0.00695339       0.04113958 
          1.72026773      -1.74345477       0.19241228 
         -1.78211055       1.71250268       0.24965306 
         -0.03630899      -0.04127022       0.08505341 
          1.80627445       1.78493842       0.16722594 
          0.00606716      -0.03101640       0.06134062 
          0.07334818      -0.02887818       0.07868104 
         -1.82404014      -1.83222080       0.18829868 
         -0.34795737      -0.36565004      -0.26119972 
          0.00567411      -0.05292648       0.01242085 
          0.43449030      -0.45540140       0.46323074 
          0.35390347       0.34576096      -0.26177633 
          0.31851571       0.04820160       1.72490821 
         -1.09029889       0.38306335      -3.81059740 
         -8.56490794      -0.77241984      -5.12175292 
          1.10470822      -0.92819378      -0.50310335 
          2.62732193      -0.69280969      -0.92816730 
          2.39773246      -1.97004954      -0.60562082 
         -7.47462876       1.04537963      -3.71500526 
         -4.97279186       2.70139619      -3.74195920 
         -0.80741937      -0.16678535      -1.57757455 
          0.24592520      -0.27060699      -0.06698021 
         -1.46669550       0.56984975       1.56905172 
          0.58016713      -0.64089916       0.07065772 
          1.16672594       0.64970188       0.46973729 
         -2.13309424       0.57102860       1.84619814 
         -2.92862809       0.75930562       3.09334412 
          1.90545360       1.52902538       0.38762988 
         -1.42857006       0.07871964      -2.92744089 
          3.00454189       0.75300936      10.77241934 
          9.48266059      -1.61317527      -5.60233062 
         -1.45877581       1.97789295      -1.29419448 
         -3.07413307      -1.84333605      -0.48817573 
          7.26438280      -2.85387427      -4.38016195 
          2.62967531      -0.04996982      10.15419044 
          2.68351457       0.66754445       3.41918597 
  
  
        -19.99662991       1.58036091      -0.75347791 
          1.58036023     -24.22418223       1.03800099 
         -0.75347831       1.03800058     -34.33459228 
  
  
     -2001.94341610 
     -2001.98154110 
     -2001.95612444 
  
   1908.55 1908.21
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.5162    1.0000 
         -57.3595    1.0000 
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