vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  18:17:16 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
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      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      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.09227425 
    
   
   
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           0.60319027       0.35245784       0.33057068 
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           0.56636297       0.04929049       0.80665039 
           0.20186010       0.02123186       0.22282244 
           0.38992770       0.00110640       0.27625056 
           0.57179379       0.77899728       0.51865485 
           0.61826572       0.60031396       0.20337302 
           0.08455657       0.43394203       0.18280817 
           0.05759202       0.52745216       0.82040237 
           0.96606012       0.49570702       0.31455330 
           0.79211939       0.99120729       0.72499691 
           0.32795002       0.44869655       0.99986136 
           0.59057838       0.73411564       0.94725417 
           0.57519154       0.70479584       0.38656067 
           0.24397323       0.53304245       0.46645750 
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           0.39669129       0.67194693       0.61740082 
           0.58828746       0.95667408       0.98260426 
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           0.08117671       0.52264151       0.14087532 
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           0.01271386       0.31719159       0.31368049 
           0.29116093       0.58419756       0.51879783 
           0.34923927       0.18648434       0.12757440 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
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          0.50000000
     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
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      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      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.13338699       0.36300707       0.77068552 
          0.60319027       0.35245784       0.33057068 
          0.84114773       0.17448795       0.69713425 
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          0.06855799       0.02767905       0.58648437 
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          0.56636297       0.04929049       0.80665039 
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          0.57179379       0.77899728       0.51865485 
          0.61826572       0.60031396       0.20337302 
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          0.05759202       0.52745216       0.82040237 
          0.96606012       0.49570702       0.31455330 
          0.79211939       0.99120729       0.72499691 
          0.32795002       0.44869655       0.99986136 
          0.59057838       0.73411564       0.94725417 
          0.57519154       0.70479584       0.38656067 
          0.24397323       0.53304245       0.46645750 
          0.97680063       0.37385818       0.00460869 
          0.79930104       0.75688393       0.87583029 
          0.39669129       0.67194693       0.61740082 
          0.58828746       0.95667408       0.98260426 
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          0.08117671       0.52264151       0.14087532 
          0.58739906       0.52670886       0.35304034 
          0.29618756       0.90489557       0.20289409 
          0.41171639       0.57173955       0.52270592 
          0.76721403       0.35468005       0.67011570 
          0.49102046       0.09836841       0.43879701 
          0.06269157       0.18927477       0.63741840 
          0.71278625       0.10890219       0.50039729 
          0.01271386       0.31719159       0.31368049 
          0.29116093       0.58419756       0.51879783 
          0.34923927       0.18648434       0.12757440 
  
 
 
  
   
   
   
         24.76344702 
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       -290.44657429 
       3170.77583059 
      -2609.60722799 
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       3755.32434067 
        537.78153910 
        537.79271407 
        537.78526409 
   
  
  
   
   
   
        -32.76171037 
        -32.76006027 
        -32.76116033 
   
  
  
   
   
   
       -109.08764388 
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       -109.07961526 
   
  
  
   
   
   
       -113.62462351 
       -113.60243990 
       -113.61722897 
   
  
  
   
   
   
       -113.80654868 
       -113.78485566 
       -113.79931767 
   
  
  
   
   
   
       -101.27850849 
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       -101.27396618 
   
  
  
   
   
   
        -89.72278934 
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        -87.83708248 
        -87.84557781 
        -87.83991426 
   
  
  
   
   
   
        -85.98543356 
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        -85.08055455 
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        -84.81058839 
        -84.84467431 
        -84.82195037 
   
  
  
   
   
   
        -84.76461218 
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        -84.77451289 
   
  
  
   
   
   
        -84.70684318 
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        -84.74881871 
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        -84.75777736 
   
  
  
   
   
   
        -84.70935258 
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        -84.71384189 
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        -84.71184908 
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        -84.71238575 
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        -84.71470969 
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        -84.71482605 
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        -84.71398801 
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        -84.71331756 
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        -84.71414504 
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        -84.71259291 
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        -84.72138530 
   
  
  
   
   
   
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            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
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           0.84114773       0.17448795       0.69713425 
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           0.79211939       0.99120729       0.72499691 
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           0.59057838       0.73411564       0.94725417 
           0.57519154       0.70479584       0.38656067 
           0.24397323       0.53304245       0.46645750 
           0.97680063       0.37385818       0.00460869 
           0.79930104       0.75688393       0.87583029 
           0.39669129       0.67194693       0.61740082 
           0.58828746       0.95667408       0.98260426 
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           0.08117671       0.52264151       0.14087532 
           0.58739906       0.52670886       0.35304034 
           0.29618756       0.90489557       0.20289409 
           0.41171639       0.57173955       0.52270592 
           0.76721403       0.35468005       0.67011570 
           0.49102046       0.09836841       0.43879701 
           0.06269157       0.18927477       0.63741840 
           0.71278625       0.10890219       0.50039729 
           0.01271386       0.31719159       0.31368049 
           0.29116093       0.58419756       0.51879783 
           0.34923927       0.18648434       0.12757440 
   
  
  
         -1.49376301       0.92425984       0.98899564 
          1.29495718       0.82179898       0.48915484 
        -10.45738701      -1.32157507       2.93471737 
         -6.05460066      31.84383645     -33.87237288 
         -1.61808634      -0.07549454       1.32958123 
         -0.19600631      -0.77937699       0.46738488 
          5.92438707     -32.73125471      34.58033126 
        -25.86471450       6.82309309     -10.58957994 
         26.28698465      -5.10555184      11.46478922 
         -0.61451462       1.27526103       2.57212007 
          0.24475488       2.10220617      -0.32608262 
          1.35316501     -16.56848791       0.69689654 
          0.59191513      -0.24949668       0.56708040 
         -2.35783175       2.05895105       4.29109908 
          1.16385532       0.33786883      -1.04097327 
         -1.94453780       0.00468514       0.03692528 
         -8.09412570      -2.21994711       3.95335648 
         -0.26404787      -3.29755286      -2.54191595 
        -22.34120440     -18.30358572     -12.77807786 
          1.12192724       0.30945968      -0.61701092 
          8.64298139       2.09971838      -4.36022583 
          1.00640169       2.84723327       0.29850862 
          0.11929701       0.49071346      -0.94248920 
          0.26395039       0.23211274      -0.44548214 
          1.06800662      13.17623939      -6.04674149 
         -0.03406856      -2.13040237       1.11209803 
         -0.09754969      -0.71423758      -0.84610114 
         49.60215984       3.07012559      10.87329749 
          1.33193564      -0.58190431       0.07054258 
         -9.81870334      -1.51203684      -3.95739131 
          9.63635591       1.46938411      -3.73228009 
         10.41837294       1.00582077       4.97442455 
         -0.85049233       1.86952643      -0.74491960 
        -27.91841943      13.03385029       0.97382192 
         -0.05135461      -0.20524015       0.16651877 
  
  
        105.99787909      -0.94165330      31.23964808 
         -0.94165329      49.77906429     -26.30384094 
         31.23964815     -26.30384084      31.86955118 
  
  
       -84.71286731 
       -84.73779164 
       -84.72117542 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -15.7300    1.0000 
         -15.6981    1.0000 
         -12.5936    1.0000 
         -12.1116    1.0000 
         -11.6876    1.0000 
         -10.5042    1.0000 
          -9.9508    1.0000 
          -9.9141    1.0000 
          -9.6417    1.0000 
          -9.5487    1.0000 
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         0.00000000      0.00000000      0.00000000
  
  
        -0.57231799 
   
    
     gridpoints
     spin
     energy
     total
     integrated
     
      
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           -8.1650    -0.4574    12.9656 
           -8.0957     0.1578    12.9766 
           -8.0264     1.7007    13.0944 
           -7.9571     4.0083    13.3722 
           -7.8878     6.1399    13.7978 
           -7.8185     6.8841    14.2749 
           -7.7492     5.7416    14.6729 
           -7.6798     3.3727    14.9067 
           -7.6105     1.1371    14.9855 
           -7.5412     0.2455    15.0025 
           -7.4719     1.1648    15.0832 
           -7.4026     3.4093    15.3195 
           -7.3333     5.7579    15.7186 
           -7.2640     7.1268    16.2126 
           -7.1947     7.5613    16.7367 
           -7.1254     8.0480    17.2945 
           -7.0560     9.1019    17.9253 
           -6.9867    10.0093    18.6191 
           -6.9174     9.8599    19.3025 
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           -6.7095     6.6888    20.9007 
           -6.6402     6.1281    21.3255 
           -6.5709     6.0903    21.7476 
           -6.5016     6.5891    22.2043 
           -6.4322     6.9812    22.6882 
           -6.3629     6.6078    23.1461 
           -6.2936     5.7061    23.5416 
           -6.2243     5.0918    23.8946 
           -6.1550     5.1007    24.2481 
           -6.0857     5.3321    24.6177 
           -6.0164     5.3344    24.9874 
           -5.9471     5.0199    25.3353 
           -5.8778     4.3550    25.6372 
           -5.8084     3.2168    25.8602 
           -5.7391     1.7549    25.9818 
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           -5.3926     1.9826    26.1484 
           -5.3233     3.7104    26.4056 
           -5.2540     5.1698    26.7639 
           -5.1846     6.2877    27.1997 
           -5.1153     7.2156    27.6998 
           -5.0460     7.7116    28.2343 
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           -4.8381     3.3933    29.3594 
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           -4.6995     1.6063    29.5898 
           -4.6302     3.0611    29.8020 
           -4.5608     4.7623    30.1320 
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           -4.4222     4.5281    30.8085 
           -4.3529     4.2436    31.1026 
           -4.2836     5.4088    31.4775 
           -4.2143     6.9918    31.9621 
           -4.1450     7.1958    32.4608 
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           -4.0064     4.7157    33.1953 
           -3.9370     4.9914    33.5412 
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           -3.1053     8.1918    39.5000 
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           -2.2736    13.2964    45.9638 
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           -0.9567    15.7926    61.7774 
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           -0.7487    17.1381    65.3841 
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           -0.5408    14.4349    68.4372 
           -0.4715    15.6314    69.5206 
           -0.4022    16.5711    70.6692 
           -0.3329    16.3911    71.8053 
           -0.2636    15.0797    72.8504 
           -0.1942    13.2739    73.7705 
           -0.1249    11.7235    74.5830 
           -0.0556    10.9372    75.3411 
            0.0137    11.1906    76.1167 
            0.0830    12.4586    76.9803 
            0.1523    14.1729    77.9626 
            0.2216    15.4420    79.0329 
            0.2909    15.7357    80.1236 
            0.3602    15.1082    81.1707 
            0.4296    13.8093    82.1279 
            0.4989    12.1427    82.9695 
            0.5682    10.7226    83.7127 
            0.6375    10.2807    84.4252 
            0.7068    10.8153    85.1749 
            0.7761    11.2459    85.9543 
            0.8454    10.4030    86.6754 
            0.9147     8.2191    87.2451 
            0.9840     5.5890    87.6324 
            1.0534     3.3309    87.8633 
            1.1227     1.6918    87.9806 
            1.1920     0.6209    88.0236 
            1.2613     0.0448    88.0267 
            1.3306    -0.1479    88.0164 
            1.3999    -0.1339    88.0072 
            1.4692    -0.0696    88.0023 
            1.5385    -0.0253    88.0006 
            1.6078    -0.0068    88.0001 
            1.6772    -0.0014    88.0000 
            1.7465    -0.0002    88.0000 
            1.8158    -0.0000    88.0000 
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            1.9544    -0.0000    88.0000 
            2.0237    -0.0000    88.0000 
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            2.8554     0.0000    88.0000 
            2.9248     0.0000    88.0000 
            2.9941     0.0000    88.0000 
            3.0634     0.0000    88.0000 
      
     
    
   
   
    
     gridpoints
     spin
     ion
     energy
       s  
       p  
       d  
     
      
       
           -17.7300     0.0000     0.0000     0.0000 
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            -4.6302     0.0181     0.0032     0.0001 
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            -4.1450    -0.0007     0.0003     0.0001 
            -4.0757     0.0001     0.0002     0.0000 
            -4.0064     0.0032     0.0014     0.0001 
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            -3.3826     0.0114     0.0155     0.0007 
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            -3.2439     0.0165     0.0219     0.0009 
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            -3.0360     0.0249     0.0328     0.0008 
            -2.9667     0.0215     0.0288     0.0007 
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            -2.6201     0.0028     0.0372     0.0004 
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            -2.4815     0.0084     0.0681     0.0010 
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            -2.3429     0.0156     0.0877     0.0020 
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            -2.2043     0.0143     0.0665     0.0020 
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            -2.0656     0.0082     0.0310     0.0011 
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            -1.7884     0.0060     0.1834     0.0026 
            -1.7191     0.0068     0.1842     0.0026 
            -1.6498     0.0085     0.1621     0.0022 
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            -1.4418     0.0123     0.1625     0.0019 
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            -1.3032     0.0060     0.1604     0.0017 
            -1.2339     0.0050     0.1504     0.0017 
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             0.9147     0.0044     0.0444     0.0054 
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            -8.5116     0.3682     0.0682     0.0043 
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            -6.7788     0.0304     0.0445     0.0046 
            -6.7095     0.0173     0.0353     0.0035 
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           -16.9675    -0.0000    -0.0000    -0.0000 
           -16.8982    -0.0000    -0.0000    -0.0000 
           -16.8289    -0.0000    -0.0000    -0.0000 
           -16.7596    -0.0000    -0.0000    -0.0000 
           -16.6903    -0.0000    -0.0000    -0.0000 
           -16.6210    -0.0000    -0.0000    -0.0000 
           -16.5517    -0.0000    -0.0000    -0.0000 
           -16.4824    -0.0000    -0.0000    -0.0000 
           -16.4130    -0.0000    -0.0000    -0.0000 
           -16.3437    -0.0000    -0.0000    -0.0000 
           -16.2744    -0.0000    -0.0000    -0.0000 
           -16.2051    -0.0000    -0.0000    -0.0000 
           -16.1358    -0.0000    -0.0000    -0.0000 
           -16.0665    -0.0000    -0.0000    -0.0000 
           -15.9972    -0.0000    -0.0000    -0.0000 
           -15.9279     0.0000     0.0000     0.0000 
           -15.8586     0.0000     0.0000     0.0000 
           -15.7892     0.0000     0.0000     0.0000 
           -15.7199     0.0000     0.0000     0.0000 
           -15.6506     0.0000     0.0000     0.0000 
           -15.5813     0.0000     0.0000     0.0000 
           -15.5120     0.0000     0.0000     0.0000 
           -15.4427     0.0000     0.0000     0.0000 
           -15.3734    -0.0000    -0.0000    -0.0000 
           -15.3041    -0.0000    -0.0000    -0.0000 
           -15.2348    -0.0000    -0.0000    -0.0000 
           -15.1654    -0.0000    -0.0000    -0.0000 
           -15.0961    -0.0000    -0.0000    -0.0000 
           -15.0268    -0.0000    -0.0000    -0.0000 
           -14.9575    -0.0000    -0.0000    -0.0000 
           -14.8882    -0.0000    -0.0000    -0.0000 
           -14.8189    -0.0000    -0.0000    -0.0000 
           -14.7496    -0.0000    -0.0000    -0.0000 
           -14.6803    -0.0000    -0.0000    -0.0000 
           -14.6110    -0.0000    -0.0000    -0.0000 
           -14.5416    -0.0000    -0.0000    -0.0000 
           -14.4723    -0.0000    -0.0000    -0.0000 
           -14.4030     0.0000     0.0000     0.0000 
           -14.3337     0.0000     0.0000     0.0000 
           -14.2644     0.0000     0.0000     0.0000 
           -14.1951    -0.0000    -0.0000    -0.0000 
           -14.1258    -0.0000    -0.0000    -0.0000 
           -14.0565    -0.0000    -0.0000    -0.0000 
           -13.9872    -0.0000    -0.0000    -0.0000 
           -13.9178    -0.0000    -0.0000    -0.0000 
           -13.8485    -0.0000    -0.0000    -0.0000 
           -13.7792    -0.0000    -0.0000    -0.0000 
           -13.7099    -0.0000    -0.0000    -0.0000 
           -13.6406    -0.0000    -0.0000    -0.0000 
           -13.5713    -0.0000    -0.0000    -0.0000 
           -13.5020    -0.0000    -0.0000    -0.0000 
           -13.4327    -0.0000    -0.0000    -0.0000 
           -13.3634    -0.0000    -0.0000    -0.0000 
           -13.2940    -0.0000    -0.0000    -0.0000 
           -13.2247    -0.0000    -0.0000    -0.0000 
           -13.1554    -0.0000    -0.0000    -0.0000 
           -13.0861    -0.0000    -0.0000    -0.0000 
           -13.0168    -0.0000    -0.0000    -0.0000 
           -12.9475    -0.0000    -0.0000    -0.0000 
           -12.8782    -0.0000    -0.0000    -0.0000 
           -12.8089    -0.0000    -0.0000    -0.0000 
           -12.7396     0.0000     0.0000     0.0000 
           -12.6702     0.0000     0.0000     0.0000 
           -12.6009     0.0000     0.0000     0.0000 
           -12.5316    -0.0000    -0.0000     0.0000 
           -12.4623    -0.0000    -0.0000     0.0000 
           -12.3930    -0.0000    -0.0000     0.0000 
           -12.3237    -0.0000    -0.0000    -0.0000 
           -12.2544     0.0000     0.0000     0.0000 
           -12.1851     0.0000     0.0000     0.0000 
           -12.1158     0.0000     0.0000     0.0000 
           -12.0464     0.0000     0.0000     0.0000 
           -11.9771    -0.0000    -0.0000    -0.0000 
           -11.9078     0.0000     0.0000     0.0000 
           -11.8385     0.0000     0.0000     0.0000 
           -11.7692     0.0000     0.0000     0.0000 
           -11.6999     0.0000     0.0000     0.0000 
           -11.6306     0.0000     0.0000     0.0000 
           -11.5613     0.0000     0.0000     0.0000 
           -11.4920     0.0000     0.0000     0.0000 
           -11.4226     0.0000     0.0000     0.0000 
           -11.3533    -0.0000    -0.0000    -0.0000 
           -11.2840    -0.0000    -0.0000    -0.0000 
           -11.2147    -0.0000    -0.0000    -0.0000 
           -11.1454    -0.0000    -0.0000    -0.0000 
           -11.0761    -0.0000    -0.0000    -0.0000 
           -11.0068    -0.0000    -0.0000    -0.0000 
           -10.9375    -0.0000    -0.0000    -0.0000 
           -10.8682    -0.0000    -0.0000    -0.0000 
           -10.7988    -0.0000    -0.0000    -0.0000 
           -10.7295    -0.0000    -0.0000    -0.0000 
           -10.6602     0.0000     0.0000     0.0000 
           -10.5909     0.0000     0.0000     0.0000 
           -10.5216     0.0000     0.0000     0.0000 
           -10.4523     0.0000     0.0000     0.0000 
           -10.3830     0.0000     0.0000     0.0000 
           -10.3137     0.0000     0.0000     0.0000 
           -10.2444     0.0000     0.0000     0.0000 
           -10.1750    -0.0000    -0.0000    -0.0000 
           -10.1057     0.0000     0.0000     0.0000 
           -10.0364     0.0000     0.0000     0.0000 
            -9.9671     0.0000     0.0000     0.0000 
            -9.8978     0.0000     0.0000     0.0000 
            -9.8285     0.0000     0.0000     0.0000 
            -9.7592     0.0000     0.0000     0.0000 
            -9.6899     0.0000     0.0000     0.0000 
            -9.6206     0.0000     0.0000     0.0000 
            -9.5512     0.0000     0.0000     0.0000 
            -9.4819     0.0000     0.0000     0.0000 
            -9.4126     0.0000     0.0000     0.0000 
            -9.3433     0.0000     0.0000     0.0000 
            -9.2740     0.0000     0.0000     0.0000 
            -9.2047     0.0000     0.0000    -0.0000 
            -9.1354     0.0000     0.0000     0.0000 
            -9.0661     0.0000     0.0000     0.0000 
            -8.9968     0.0000     0.0000     0.0000 
            -8.9274     0.0000     0.0000     0.0000 
            -8.8581     0.0000     0.0000     0.0000 
            -8.7888    -0.0000    -0.0000    -0.0000 
            -8.7195    -0.0000    -0.0000    -0.0000 
            -8.6502    -0.0000    -0.0000     0.0000 
            -8.5809     0.0000     0.0000     0.0000 
            -8.5116     0.0000     0.0000     0.0000 
            -8.4423     0.0000     0.0000     0.0000 
            -8.3730    -0.0000    -0.0000     0.0000 
            -8.3036    -0.0000    -0.0000    -0.0000 
            -8.2343    -0.0000    -0.0000    -0.0000 
            -8.1650    -0.0000    -0.0000    -0.0000 
            -8.0957     0.0000     0.0000     0.0000 
            -8.0264     0.0000     0.0000     0.0000 
            -7.9571     0.0000     0.0000     0.0000 
            -7.8878     0.0000     0.0000     0.0000 
            -7.8185     0.0000     0.0000     0.0000 
            -7.7492     0.0000     0.0000     0.0000 
            -7.6798     0.0000     0.0000     0.0000 
            -7.6105    -0.0000    -0.0000    -0.0000 
            -7.5412    -0.0000    -0.0000    -0.0000 
            -7.4719     0.0000     0.0000    -0.0000 
            -7.4026     0.0000     0.0000     0.0000 
            -7.3333     0.0000     0.0000     0.0000 
            -7.2640     0.0000     0.0000     0.0000 
            -7.1947     0.0000     0.0000     0.0000 
            -7.1254     0.0000     0.0000     0.0000 
            -7.0560     0.0000     0.0000     0.0000 
            -6.9867     0.0000     0.0000     0.0000 
            -6.9174     0.0000     0.0000     0.0000 
            -6.8481     0.0000     0.0000     0.0000 
            -6.7788     0.0000     0.0000     0.0000 
            -6.7095     0.0000     0.0000     0.0000 
            -6.6402     0.0000     0.0000     0.0000 
            -6.5709     0.0000     0.0000     0.0000 
            -6.5016     0.0000     0.0000     0.0000 
            -6.4322     0.0000     0.0000     0.0000 
            -6.3629     0.0000     0.0000     0.0000 
            -6.2936     0.0000     0.0000     0.0000 
            -6.2243     0.0000     0.0000     0.0000 
            -6.1550     0.0000     0.0000     0.0000 
            -6.0857     0.0000     0.0000     0.0000 
            -6.0164     0.0000     0.0000     0.0000 
            -5.9471     0.0000     0.0000     0.0000 
            -5.8778     0.0000     0.0000     0.0000 
            -5.8084     0.0000     0.0000     0.0000 
            -5.7391     0.0000    -0.0000     0.0000 
            -5.6698     0.0000    -0.0000    -0.0000 
            -5.6005    -0.0000    -0.0000    -0.0000 
            -5.5312    -0.0000    -0.0000    -0.0000 
            -5.4619    -0.0000    -0.0000    -0.0000 
            -5.3926     0.0000    -0.0000    -0.0000 
            -5.3233     0.0000    -0.0000    -0.0000 
            -5.2540     0.0000     0.0000     0.0000 
            -5.1846     0.0000     0.0000     0.0000 
            -5.1153     0.0000     0.0000     0.0000 
            -5.0460     0.0000     0.0000     0.0000 
            -4.9767     0.0000     0.0000     0.0000 
            -4.9074     0.0000     0.0000     0.0000 
            -4.8381     0.0000     0.0000     0.0000 
            -4.7688     0.0000     0.0000     0.0000 
            -4.6995     0.0000     0.0000     0.0000 
            -4.6302     0.0000     0.0000     0.0000 
            -4.5608     0.0000     0.0000     0.0000 
            -4.4915     0.0000     0.0000     0.0000 
            -4.4222     0.0000     0.0000     0.0000 
            -4.3529     0.0000     0.0000     0.0000 
            -4.2836     0.0000     0.0000     0.0000 
            -4.2143     0.0001     0.0000     0.0000 
            -4.1450     0.0001     0.0000     0.0000 
            -4.0757     0.0000     0.0000     0.0000 
            -4.0064     0.0000     0.0000     0.0000 
            -3.9370     0.0000     0.0000     0.0000 
            -3.8677     0.0000     0.0000     0.0000 
            -3.7984     0.0000     0.0000     0.0000 
            -3.7291     0.0001     0.0000     0.0000 
            -3.6598     0.0001     0.0000     0.0000 
            -3.5905     0.0001     0.0000     0.0000 
            -3.5212     0.0002     0.0000     0.0000 
            -3.4519     0.0002     0.0000     0.0000 
            -3.3826     0.0002     0.0000     0.0000 
            -3.3132     0.0002     0.0000     0.0000 
            -3.2439     0.0002     0.0000     0.0000 
            -3.1746     0.0001     0.0000     0.0000 
            -3.1053     0.0002     0.0000     0.0000 
            -3.0360     0.0004     0.0000     0.0000 
            -2.9667     0.0007     0.0000     0.0000 
            -2.8974     0.0011     0.0000     0.0000 
            -2.8281     0.0014     0.0000     0.0000 
            -2.7588     0.0014     0.0000     0.0000 
            -2.6894     0.0011     0.0000     0.0000 
            -2.6201     0.0007     0.0000     0.0000 
            -2.5508     0.0004     0.0000     0.0000 
            -2.4815     0.0002     0.0000     0.0000 
            -2.4122     0.0003     0.0000     0.0000 
            -2.3429     0.0004     0.0000     0.0000 
            -2.2736     0.0005     0.0000     0.0000 
            -2.2043     0.0007     0.0000     0.0000 
            -2.1350     0.0007     0.0000     0.0000 
            -2.0656     0.0006     0.0000     0.0000 
            -1.9963     0.0005     0.0000     0.0000 
            -1.9270     0.0004     0.0000     0.0000 
            -1.8577     0.0004     0.0000     0.0000 
            -1.7884     0.0007     0.0000     0.0000 
            -1.7191     0.0015     0.0000     0.0000 
            -1.6498     0.0023     0.0000     0.0000 
            -1.5805     0.0027     0.0000     0.0000 
            -1.5112     0.0024     0.0000     0.0000 
            -1.4418     0.0017     0.0000     0.0000 
            -1.3725     0.0011     0.0000     0.0000 
            -1.3032     0.0014     0.0000     0.0000 
            -1.2339     0.0025     0.0000     0.0000 
            -1.1646     0.0039     0.0000     0.0000 
            -1.0953     0.0066     0.0000     0.0000 
            -1.0260     0.0161     0.0000     0.0000 
            -0.9567     0.0396     0.0000     0.0000 
            -0.8874     0.0755     0.0000     0.0000 
            -0.8180     0.1087     0.0000     0.0000 
            -0.7487     0.1253     0.0000     0.0000 
            -0.6794     0.1293     0.0000     0.0000 
            -0.6101     0.1349     0.0000     0.0000 
            -0.5408     0.1417     0.0000     0.0000 
            -0.4715     0.1329     0.0000     0.0000 
            -0.4022     0.1005     0.0000     0.0000 
            -0.3329     0.0586     0.0000     0.0000 
            -0.2636     0.0271     0.0000     0.0000 
            -0.1942     0.0125     0.0000     0.0000 
            -0.1249     0.0086     0.0000     0.0000 
            -0.0556     0.0078     0.0000     0.0000 
             0.0137     0.0069     0.0000     0.0000 
             0.0830     0.0057     0.0000     0.0000 
             0.1523     0.0047     0.0000     0.0000 
             0.2216     0.0043     0.0000     0.0000 
             0.2909     0.0045     0.0000     0.0000 
             0.3602     0.0047     0.0000     0.0000 
             0.4296     0.0046     0.0000     0.0000 
             0.4989     0.0039     0.0000     0.0000 
             0.5682     0.0030     0.0000     0.0000 
             0.6375     0.0023     0.0000     0.0000 
             0.7068     0.0023     0.0000     0.0000 
             0.7761     0.0029     0.0000     0.0000 
             0.8454     0.0037     0.0000     0.0000 
             0.9147     0.0040     0.0000     0.0000 
             0.9840     0.0035     0.0000     0.0000 
             1.0534     0.0023     0.0000     0.0000 
             1.1227     0.0011     0.0000     0.0000 
             1.1920     0.0003     0.0000     0.0000 
             1.2613    -0.0001    -0.0000    -0.0000 
             1.3306    -0.0001    -0.0000    -0.0000 
             1.3999    -0.0001    -0.0000    -0.0000 
             1.4692    -0.0000    -0.0000    -0.0000 
             1.5385    -0.0000    -0.0000    -0.0000 
             1.6078    -0.0000    -0.0000    -0.0000 
             1.6772    -0.0000    -0.0000    -0.0000 
             1.7465    -0.0000    -0.0000    -0.0000 
             1.8158    -0.0000    -0.0000    -0.0000 
             1.8851    -0.0000    -0.0000    -0.0000 
             1.9544    -0.0000    -0.0000    -0.0000 
             2.0237    -0.0000    -0.0000    -0.0000 
             2.0930    -0.0000    -0.0000    -0.0000 
             2.1623    -0.0000    -0.0000    -0.0000 
             2.2316    -0.0000    -0.0000    -0.0000 
             2.3010    -0.0000    -0.0000    -0.0000 
             2.3703     0.0000     0.0000     0.0000 
             2.4396     0.0000     0.0000     0.0000 
             2.5089     0.0000     0.0000     0.0000 
             2.5782     0.0000     0.0000     0.0000 
             2.6475     0.0000     0.0000     0.0000 
             2.7168     0.0000     0.0000     0.0000 
             2.7861     0.0000     0.0000     0.0000 
             2.8554     0.0000     0.0000     0.0000 
             2.9248     0.0000     0.0000     0.0000 
             2.9941     0.0000     0.0000     0.0000 
             3.0634     0.0000     0.0000     0.0000 
       
      
     
    
   
  
  
   
    
     band
     kpoint
     spin
     eigene
     occ
     
      
       
          -15.7300    1.0000 
          -15.6981    1.0000 
          -12.5936    1.0000 
          -12.1116    1.0000 
          -11.6876    1.0000 
          -10.5042    1.0000 
           -9.9508    1.0000 
           -9.9141    1.0000 
           -9.6417    1.0000 
           -9.5487    1.0000 
           -9.0777    1.0000 
           -9.0659    1.0000 
           -8.5318    1.0000 
           -7.9231    1.0000 
           -7.8289    1.0000 
           -7.3401    1.0000 
           -7.2398    1.0000 
           -7.0615    1.0000 
           -7.0083    1.0000 
           -6.9813    1.0000 
           -6.7824    1.0000 
           -6.5314    1.0000 
           -6.4932    1.0000 
           -6.3417    1.0000 
           -6.1090    1.0000 
           -5.8409    1.0000 
           -5.3081    1.0000 
           -5.1149    1.0000 
           -5.0435    1.0000 
           -4.8825    1.0000 
           -4.5351    1.0000 
           -4.1953    1.0000 
           -4.1651    1.0000 
           -3.9239    1.0000 
           -3.7936    1.0000 
           -3.6706    1.0000 
           -3.4644    1.0000 
           -3.3713    1.0000 
           -3.3039    1.0000 
           -3.0758    1.0000 
           -2.9686    1.0000 
           -2.8595    1.0000 
           -2.5423    1.0000 
           -2.4571    1.0000 
           -2.4110    1.0000 
           -2.3358    1.0000 
           -2.2208    1.0000 
           -2.1142    1.0000 
           -2.0341    1.0000 
           -1.9694    1.0000 
           -1.8371    1.0000 
           -1.7239    1.0000 
           -1.6624    1.0000 
           -1.5937    1.0000 
           -1.5519    1.0000 
           -1.4317    1.0000 
           -1.3881    1.0000 
           -1.2163    1.0000 
           -1.1993    1.0000 
           -1.1082    1.0005 
           -1.0932    1.0007 
           -0.9767    1.0074 
           -0.9186    1.0172 
           -0.8488    1.0324 
           -0.7946    1.0332 
           -0.7773    1.0275 
           -0.6552    0.8195 
           -0.6249    0.7143 
           -0.5323    0.3343 
           -0.5150    0.2681 
           -0.4726    0.1307 
           -0.3823   -0.0192 
           -0.2963   -0.0325 
           -0.2447   -0.0213 
           -0.0896   -0.0017 
           -0.0454   -0.0006 
            0.0216   -0.0001 
            0.0722   -0.0000 
            0.1915   -0.0000 
            0.2294   -0.0000 
            0.3173   -0.0000 
            0.4376   -0.0000 
            0.4755   -0.0000 
            0.5189   -0.0000 
            0.7098   -0.0000 
            0.7460   -0.0000 
            0.9382   -0.0000 
            1.0634   -0.0000 
       
       
          -15.7295    1.0000 
          -15.6975    1.0000 
          -12.5901    1.0000 
          -12.0948    1.0000 
          -11.6882    1.0000 
          -10.4916    1.0000 
           -9.9758    1.0000 
           -9.9593    1.0000 
           -9.6264    1.0000 
           -9.5643    1.0000 
           -9.1091    1.0000 
           -9.0692    1.0000 
           -8.5300    1.0000 
           -7.9233    1.0000 
           -7.8237    1.0000 
           -7.3695    1.0000 
           -7.2363    1.0000 
           -7.1067    1.0000 
           -7.0169    1.0000 
           -6.9732    1.0000 
           -6.6726    1.0000 
           -6.5603    1.0000 
           -6.4397    1.0000 
           -6.3890    1.0000 
           -6.0678    1.0000 
           -5.8942    1.0000 
           -5.3133    1.0000 
           -5.1662    1.0000 
           -5.0519    1.0000 
           -4.5859    1.0000 
           -4.4641    1.0000 
           -4.2635    1.0000 
           -4.2344    1.0000 
           -3.8968    1.0000 
           -3.8130    1.0000 
           -3.6776    1.0000 
           -3.4456    1.0000 
           -3.2868    1.0000 
           -3.2318    1.0000 
           -3.1038    1.0000 
           -3.0375    1.0000 
           -2.7254    1.0000 
           -2.5667    1.0000 
           -2.5095    1.0000 
           -2.3490    1.0000 
           -2.2758    1.0000 
           -2.2329    1.0000 
           -2.1869    1.0000 
           -2.0551    1.0000 
           -2.0349    1.0000 
           -1.8428    1.0000 
           -1.7624    1.0000 
           -1.6425    1.0000 
           -1.5577    1.0000 
           -1.4548    1.0000 
           -1.4195    1.0000 
           -1.3237    1.0000 
           -1.2571    1.0000 
           -1.1867    1.0001 
           -1.1254    1.0003 
           -1.0518    1.0018 
           -0.9960    1.0054 
           -0.9280    1.0153 
           -0.8568    1.0309 
           -0.8293    1.0349 
           -0.7611    1.0183 
           -0.7018    0.9402 
           -0.6110    0.6604 
           -0.4928    0.1912 
           -0.4721    0.1294 
           -0.4042    0.0003 
           -0.3770   -0.0225 
           -0.2761   -0.0285 
           -0.2696   -0.0270 
           -0.1167   -0.0029 
           -0.0127   -0.0003 
            0.1146   -0.0000 
            0.1243   -0.0000 
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    ion
    band
    kpoint
    spin
      s  
      p  
      d  
    
     
      
       
          0.0000  0.0000  0.0000 
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          0.0009  0.0002  0.0001 
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          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0007  0.0004  0.0001 
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          0.0000  0.0000  0.0000 
          0.0010  0.0005  0.0001 
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          0.0000  0.0000  0.0000 
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          0.0000  0.0000  0.0000 
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          0.0003  0.0001  0.0000 
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          0.0001  0.0000  0.0000 
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          0.1726  0.0980  0.0316 
          0.0000  0.0000  0.0000 
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          0.0080  0.0038  0.0009 
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          0.0018  0.0007  0.0002 
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          0.0001  0.0000  0.0000 
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          0.0002  0.0009  0.0001 
          0.0067  0.0018  0.0003 
          0.0000  0.0000  0.0000 
          0.0001  0.0000  0.0000 
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          0.0000  0.0000  0.0000 
          0.1669  0.0454  0.0064 
          0.0006  0.0001  0.0000 
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          0.0003  0.0002  0.0001 
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          0.0000  0.0000  0.0000 
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          0.0000  0.0000  0.0000 
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          0.0000  0.0000  0.0000 
       
       
          0.0000  0.0000  0.0000 
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           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
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