vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:58:50 
 
 
  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      0.32000000      0.73000000
  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 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.90372839       0.51962904       0.10478714 
           0.87750714       0.24485804       0.43450059 
           0.14987482       0.46371598       0.18394792 
           0.12919739       0.29105429       0.34395554 
           0.84108262       0.33181877       0.03042195 
           0.95215050       0.42373766       0.51183160 
           0.09801145       0.33886021       0.14932425 
           0.18918125       0.41424871       0.37485213 
           0.82344102       0.55001462       0.54140603 
           0.78749914       0.24769559       0.87819234 
           0.07601443       0.51025443       0.64356609 
           0.04138106       0.21196275       0.76457108 
           0.90747900       0.31693086       0.60648710 
           0.87231479       0.44101743       0.94477952 
           0.16530696       0.32953803       0.73065343 
           0.11900627       0.43927860       0.81890064 
           0.41048106       0.51126455       0.11714845 
           0.38035338       0.25065519       0.43474637 
           0.66103523       0.46741915       0.19841167 
           0.63109932       0.29699373       0.35130551 
           0.34757086       0.33406090       0.02748919 
           0.43379746       0.43353855       0.50108432 
           0.59647906       0.34319814       0.15577668 
           0.69869236       0.45657590       0.40733004 
           0.35226502       0.54296874       0.57352743 
           0.28342139       0.24762647       0.88068056 
           0.60829128       0.53617231       0.69490849 
           0.53909823       0.21389609       0.77005933 
           0.40999472       0.32497900       0.60004201 
           0.37307321       0.44410783       0.94086202 
           0.65949893       0.33097047       0.72767947 
           0.62471913       0.43950193       0.82022298 
           0.63664730       0.62345465       0.75744311 
           0.50646360       0.63998179       0.45669689 
           0.36930251       0.59669171       0.51430032 
   
  
  
           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 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.50000000 
          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
      104
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     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
           0.00000002
           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      0.32000000      0.73000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
         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
      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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.90372839       0.51962904       0.10478714 
          0.87750714       0.24485804       0.43450059 
          0.14987482       0.46371598       0.18394792 
          0.12919739       0.29105429       0.34395554 
          0.84108262       0.33181877       0.03042195 
          0.95215050       0.42373766       0.51183160 
          0.09801145       0.33886021       0.14932425 
          0.18918125       0.41424871       0.37485213 
          0.82344102       0.55001462       0.54140603 
          0.78749914       0.24769559       0.87819234 
          0.07601443       0.51025443       0.64356609 
          0.04138106       0.21196275       0.76457108 
          0.90747900       0.31693086       0.60648710 
          0.87231479       0.44101743       0.94477952 
          0.16530696       0.32953803       0.73065343 
          0.11900627       0.43927860       0.81890064 
          0.41048106       0.51126455       0.11714845 
          0.38035338       0.25065519       0.43474637 
          0.66103523       0.46741915       0.19841167 
          0.63109932       0.29699373       0.35130551 
          0.34757086       0.33406090       0.02748919 
          0.43379746       0.43353855       0.50108432 
          0.59647906       0.34319814       0.15577668 
          0.69869236       0.45657590       0.40733004 
          0.35226502       0.54296874       0.57352743 
          0.28342139       0.24762647       0.88068056 
          0.60829128       0.53617231       0.69490849 
          0.53909823       0.21389609       0.77005933 
          0.40999472       0.32497900       0.60004201 
          0.37307321       0.44410783       0.94086202 
          0.65949893       0.33097047       0.72767947 
          0.62471913       0.43950193       0.82022298 
          0.63664730       0.62345465       0.75744311 
          0.50646360       0.63998179       0.45669689 
          0.36930251       0.59669171       0.51430032 
  
 
 
  
   
   
   
         24.76344702 
       8858.20320566 
     -12121.16599084 
       -264.71418211 
       3167.08814863 
      -2605.71786812 
         -0.01037192 
       -194.06867336 
       3755.32434067 
        619.70205564 
        619.71242756 
        619.70551295 
   
  
  
   
   
   
        -84.13820640 
        -84.14132748 
        -84.13924676 
   
  
  
   
   
   
       -162.10663151 
       -162.11173903 
       -162.10833402 
   
  
  
   
   
   
       -164.95310890 
       -164.95365445 
       -164.95329075 
   
  
  
   
   
   
       -165.08753829 
       -165.08784360 
       -165.08764006 
   
  
  
   
   
   
       -140.12646028 
       -140.15335455 
       -140.13542503 
   
  
  
   
   
   
       -135.12891057 
       -135.15442949 
       -135.13741688 
   
  
  
   
   
   
       -137.82399284 
       -137.83491276 
       -137.82763282 
   
  
  
   
   
   
       -140.63380561 
       -140.64375789 
       -140.63712304 
   
  
  
   
   
   
       -144.13003719 
       -144.14111110 
       -144.13372849 
   
  
  
   
   
   
       -147.62088351 
       -147.61691909 
       -147.61956204 
   
  
  
   
   
   
       -153.10522629 
       -153.10074849 
       -153.10373369 
   
  
  
   
   
   
       -160.31040541 
       -160.29288106 
       -160.30456396 
   
  
  
   
   
   
       -162.90999596 
       -162.89086193 
       -162.90361795 
   
  
  
   
   
   
       -164.04623827 
       -164.03375426 
       -164.04207693 
   
  
  
   
   
   
       -164.83643087 
       -164.82867353 
       -164.83384509 
   
  
  
   
   
   
       -165.17800869 
       -165.16905593 
       -165.17502444 
   
  
  
   
   
   
       -165.39453116 
       -165.38773424 
       -165.39226552 
   
  
  
   
   
   
       -165.56666590 
       -165.56306418 
       -165.56546533 
   
  
  
   
   
   
       -165.68447745 
       -165.68531406 
       -165.68475632 
   
  
  
   
   
   
       -165.80849347 
       -165.81236065 
       -165.80978253 
   
  
  
   
   
   
       -165.85711271 
       -165.86139063 
       -165.85853868 
   
  
  
   
   
   
       -165.90418174 
       -165.90937284 
       -165.90591211 
   
  
  
   
   
   
       -165.93039791 
       -165.93597573 
       -165.93225718 
   
  
  
   
   
   
       -165.94314563 
       -165.94941316 
       -165.94523480 
   
  
  
   
   
   
       -165.94888459 
       -165.95521365 
       -165.95099428 
   
  
  
   
   
   
       -165.95166457 
       -165.95798557 
       -165.95377157 
   
  
  
   
   
   
       -165.95223528 
       -165.95861970 
       -165.95436342 
   
  
  
   
   
   
       -165.95245139 
       -165.95887458 
       -165.95459246 
   
  
  
   
   
   
       -165.95249265 
       -165.95894961 
       -165.95464497 
   
  
  
   
   
   
         24.76344702 
       8858.20320566 
     -12327.55407636 
       -257.98738108 
      14414.24726356 
     -13856.66150425 
          0.00645450 
       -776.29424967 
       3755.32434067 
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       -165.95465145 
   
  
  
   
    
            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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           0.90372839       0.51962904       0.10478714 
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           0.14987482       0.46371598       0.18394792 
           0.12919739       0.29105429       0.34395554 
           0.84108262       0.33181877       0.03042195 
           0.95215050       0.42373766       0.51183160 
           0.09801145       0.33886021       0.14932425 
           0.18918125       0.41424871       0.37485213 
           0.82344102       0.55001462       0.54140603 
           0.78749914       0.24769559       0.87819234 
           0.07601443       0.51025443       0.64356609 
           0.04138106       0.21196275       0.76457108 
           0.90747900       0.31693086       0.60648710 
           0.87231479       0.44101743       0.94477952 
           0.16530696       0.32953803       0.73065343 
           0.11900627       0.43927860       0.81890064 
           0.41048106       0.51126455       0.11714845 
           0.38035338       0.25065519       0.43474637 
           0.66103523       0.46741915       0.19841167 
           0.63109932       0.29699373       0.35130551 
           0.34757086       0.33406090       0.02748919 
           0.43379746       0.43353855       0.50108432 
           0.59647906       0.34319814       0.15577668 
           0.69869236       0.45657590       0.40733004 
           0.35226502       0.54296874       0.57352743 
           0.28342139       0.24762647       0.88068056 
           0.60829128       0.53617231       0.69490849 
           0.53909823       0.21389609       0.77005933 
           0.40999472       0.32497900       0.60004201 
           0.37307321       0.44410783       0.94086202 
           0.65949893       0.33097047       0.72767947 
           0.62471913       0.43950193       0.82022298 
           0.63664730       0.62345465       0.75744311 
           0.50646360       0.63998179       0.45669689 
           0.36930251       0.59669171       0.51430032 
   
  
  
         -0.16326448       0.18351870      -0.05869426 
          0.09464747      -0.06634863       0.01959836 
         -0.04460280      -0.11792438       0.21456418 
         -0.36339570       0.34795818      -0.20320429 
          0.04647186      -0.05019837       0.05519306 
          0.06862328      -0.00311663      -0.11500928 
          0.01283561      -0.02992815       0.06393735 
         -0.10807518      -0.17126410      -0.01438383 
         -0.36822166      -0.03988678      -0.23815534 
         -0.02965392      -0.03879530       0.00093105 
         -0.20794970      -0.04755838      -0.05302885 
         -0.00790539       0.00819683       0.00688328 
         -0.02806036      -0.03832012      -0.02349068 
         -0.04956969      -0.01892126       0.06183605 
          0.03441237       0.07127177      -0.00404477 
          0.04277561      -0.08158803      -0.01012220 
         -0.68859859       0.57206898      -0.27572142 
          0.41683769      -0.41455028       0.05293878 
          0.58853215      -0.84922940      -0.19700905 
          0.02920814       0.17434250      -0.04678578 
         -0.09484336       0.09993595       0.04695082 
         -0.21121228      -0.44297007      -0.12846008 
          0.33291210       0.36976769       0.04193451 
          0.07926905      -0.05865016       0.31289425 
         -3.10232092     -29.82658578      18.80214193 
          0.03815609      -0.07388415       0.02137855 
          0.27391576       2.12692551       0.99026777 
          0.02180303      -0.00970913      -0.03077153 
         -0.11383204       0.28868726       0.15524826 
          0.10096120      -0.07364742      -0.13742237 
          0.05913850      -0.00566580       0.03699185 
          0.12625056       0.12929477       0.19061854 
         -0.22388501      -2.34134487      -0.46503138 
         -2.09357803      -2.08346797       1.50089233 
          5.53221864      32.51158702     -20.57386581 
  
  
          3.39990468      -1.17702485      -8.66281055 
         -1.17702487      25.76512455     -20.14794077 
         -8.66281052     -20.14794073      22.04617398 
  
  
      -165.95249995 
      -165.95895445 
      -165.95465145 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -22.1086    1.0000 
         -12.6120    1.0000 
         -11.6633    1.0000 
         -11.6099    1.0000 
         -11.1737    1.0000 
         -10.6062    1.0000 
         -10.3903    1.0000 
         -10.2983    1.0000 
         -10.1160    1.0000 
         -10.0906    1.0000 
          -9.7811    1.0000 
          -9.4330    1.0000 
          -9.2607    1.0000 
          -9.2091    1.0000 
          -8.7093    1.0000 
          -8.6086    1.0000 
          -8.5741    1.0000 
          -8.3995    1.0000 
          -8.1538    1.0000 
          -7.8494    1.0000 
          -7.7401    1.0000 
          -7.6328    1.0000 
          -7.2085    1.0000 
          -7.0655    1.0000 
          -6.6764    1.0000 
          -6.6204    1.0000 
          -6.5259    1.0000 
          -6.4314    1.0000 
          -6.2473    1.0000 
          -6.1375    1.0000 
          -6.0150    1.0000 
          -5.5399    1.0000 
          -4.9744    1.0000 
          -4.8744    1.0000 
          -4.6614    1.0000 
          -4.4664    1.0000 
          -4.2441    1.0000 
          -3.9951    1.0000 
          -3.7985    1.0000 
          -3.7415    1.0000 
          -3.6591    1.0000 
          -3.5824    1.0000 
          -3.4023    1.0000 
          -3.3017    1.0000 
          -3.2305    1.0000 
          -3.1964    1.0000 
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         0.00000000      0.00000000      0.00000000
  
  
        -0.64930604 
   
    
     gridpoints
     spin
     energy
     total
     integrated
     
      
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          -11.7517     2.9016     2.8990 
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          -11.5508     3.3270     3.5750 
          -11.4503     2.4798     3.8242 
          -11.3499     1.8361     4.0086 
          -11.2494     2.3415     4.2438 
          -11.1489     3.4133     4.5868 
          -11.0485     3.9470     4.9833 
          -10.9480     3.5401     5.3389 
          -10.8476     2.5634     5.5965 
          -10.7471     2.2855     5.8261 
          -10.6466     3.0359     6.1311 
          -10.5462     3.8989     6.5228 
          -10.4457     4.6213     6.9870 
          -10.3452     5.4203     7.5316 
          -10.2448     6.1183     8.1462 
          -10.1443     5.7639     8.7253 
          -10.0439     4.0535     9.1325 
           -9.9434     3.1039     9.4443 
           -9.8429     4.1870     9.8650 
           -9.7425     5.5818    10.4257 
           -9.6420     6.1335    11.0419 
           -9.5415     6.1932    11.6641 
           -9.4411     5.6400    12.2307 
           -9.3406     4.7877    12.7117 
           -9.2402     4.6907    13.1829 
           -9.1397     4.7392    13.6591 
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           -8.9388     2.3114    14.2490 
           -8.8383     3.1734    14.5678 
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           -8.5369     5.5535    16.2732 
           -8.4365     4.8523    16.7607 
           -8.3360     4.7709    17.2400 
           -8.2355     5.0489    17.7472 
           -8.1351     4.7401    18.2234 
           -8.0346     3.5094    18.5760 
           -7.9341     2.4083    18.8179 
           -7.8337     2.5193    19.0710 
           -7.7332     3.3339    19.4059 
           -7.6328     4.0549    19.8133 
           -7.5323     4.2647    20.2417 
           -7.4318     3.6701    20.6105 
           -7.3314     2.9148    20.9033 
           -7.2309     3.4739    21.2523 
           -7.1304     5.5592    21.8108 
           -7.0300     6.9247    22.5064 
           -6.9295     6.2547    23.1348 
           -6.8291     5.3518    23.6725 
           -6.7286     5.9928    24.2745 
           -6.6281     7.4211    25.0201 
           -6.5277     8.4572    25.8697 
           -6.4272     8.7106    26.7448 
           -6.3267     7.3476    27.4829 
           -6.2263     5.2911    28.0145 
           -6.1258     4.6123    28.4779 
           -6.0254     5.2150    29.0018 
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           -5.8244     4.6957    30.0325 
           -5.7240     3.5761    30.3918 
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           -5.5230     4.1634    31.1595 
           -5.4226     4.2700    31.5885 
           -5.3221     2.9881    31.8887 
           -5.2216     1.7428    32.0638 
           -5.1212     2.3102    32.2959 
           -5.0207     4.1400    32.7118 
           -4.9203     5.7026    33.2847 
           -4.8198     6.2382    33.9114 
           -4.7193     5.8720    34.5013 
           -4.6189     5.9236    35.0964 
           -4.5184     7.2328    35.8230 
           -4.4179     8.1842    36.6452 
           -4.3175     7.7134    37.4202 
           -4.2170     7.0121    38.1246 
           -4.1166     6.2724    38.7547 
           -4.0161     5.4961    39.3069 
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           -3.8152     8.6531    40.7961 
           -3.7147    10.6017    41.8611 
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           -3.5138     8.8674    43.7786 
           -3.4133     7.9700    44.5793 
           -3.3129     7.9294    45.3759 
           -3.2124     8.6458    46.2445 
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           -2.8105    10.7062    50.1703 
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           -2.6096     9.9016    52.2947 
           -2.5092     6.9242    52.9904 
           -2.4087     4.9009    53.4827 
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           -2.1073     9.5913    55.8375 
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           -1.9064     8.9127    57.6429 
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           -1.3036    10.5131    63.2183 
           -1.2031     8.5467    64.0770 
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           -0.8013     7.5065    67.1648 
           -0.7008     6.2181    67.7895 
           -0.6004     4.1967    68.2111 
           -0.4999     2.2793    68.4401 
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           -0.2990     2.7737    68.8961 
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            0.0024     3.4869    70.1258 
            0.1029     2.5743    70.3844 
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            0.3038     3.3914    70.9781 
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            0.8061     5.1070    74.1967 
            0.9066     6.3368    74.8333 
            1.0070     8.5191    75.6892 
            1.1075     9.3045    76.6240 
            1.2080     8.7503    77.5030 
            1.3084     8.0437    78.3111 
            1.4089     7.6567    79.0803 
            1.5094     7.8437    79.8683 
            1.6098     8.2862    80.7008 
            1.7103     8.5751    81.5623 
            1.8107     9.0684    82.4733 
            1.9112     9.7148    83.4493 
            2.0117     9.9169    84.4456 
            2.1121     9.8011    85.4302 
            2.2126    10.1571    86.4506 
            2.3131    11.0911    87.5649 
            2.4135    11.3133    88.7014 
            2.5140    10.5974    89.7661 
            2.6144    10.1164    90.7824 
            2.7149     9.9810    91.7851 
            2.8154     9.7595    92.7656 
            2.9158     9.4444    93.7144 
            3.0163     8.7309    94.5915 
            3.1168     8.3757    95.4329 
            3.2172     9.5959    96.3970 
            3.3177    10.6102    97.4629 
            3.4181    10.5038    98.5181 
            3.5186    11.0679    99.6301 
            3.6191    11.9513   100.8307 
            3.7195    11.6312   101.9992 
            3.8200     9.5354   102.9572 
            3.9205     6.1571   103.5757 
            4.0209     3.0986   103.8870 
            4.1214     1.1782   104.0054 
            4.2218     0.1790   104.0234 
            4.3223    -0.1234   104.0110 
            4.4228    -0.0838   104.0025 
            4.5232    -0.0220   104.0003 
            4.6237    -0.0030   104.0000 
            4.7242    -0.0002   104.0000 
            4.8246    -0.0000   104.0000 
            4.9251    -0.0000   104.0000 
            5.0255    -0.0000   104.0000 
            5.1260    -0.0000   104.0000 
            5.2265    -0.0000   104.0000 
            5.3269    -0.0000   104.0000 
            5.4274     0.0000   104.0000 
            5.5279     0.0000   104.0000 
            5.6283     0.0000   104.0000 
            5.7288     0.0000   104.0000 
            5.8292     0.0000   104.0000 
            5.9297     0.0000   104.0000 
            6.0302     0.0000   104.0000 
      
     
    
   
   
    
     gridpoints
     spin
     ion
     energy
       s  
       p  
       d  
     
      
       
           -24.1086     0.0000     0.0000     0.0000 
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           -22.3003     0.0000     0.0000     0.0000 
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           -12.5554     0.0034     0.0004     0.0000 
           -12.4550     0.0018     0.0003     0.0000 
           -12.3545     0.0020     0.0003     0.0000 
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           -12.1536     0.0152     0.0018     0.0000 
           -12.0531     0.0123     0.0016     0.0001 
           -11.9526     0.0048     0.0010     0.0001 
           -11.8522     0.0039     0.0010     0.0001 
           -11.7517     0.0128     0.0020     0.0001 
           -11.6513     0.0265     0.0035     0.0002 
           -11.5508     0.0325     0.0041     0.0002 
           -11.4503     0.0230     0.0030     0.0001 
           -11.3499     0.0090     0.0014     0.0001 
           -11.2494     0.0067     0.0014     0.0001 
           -11.1489     0.0188     0.0030     0.0002 
           -11.0485     0.0355     0.0049     0.0002 
           -10.9480     0.0423     0.0050     0.0002 
           -10.8476     0.0352     0.0035     0.0001 
           -10.7471     0.0230     0.0022     0.0001 
           -10.6466     0.0113     0.0020     0.0002 
           -10.5462     0.0027     0.0021     0.0003 
           -10.4457     0.0006     0.0026     0.0004 
           -10.3452     0.0136     0.0044     0.0006 
           -10.2448     0.0470     0.0071     0.0008 
           -10.1443     0.0756     0.0081     0.0007 
           -10.0439     0.0692     0.0065     0.0006 
            -9.9434     0.0466     0.0057     0.0007 
            -9.8429     0.0425     0.0074     0.0010 
            -9.7425     0.0545     0.0085     0.0010 
            -9.6420     0.0768     0.0088     0.0009 
            -9.5415     0.0969     0.0098     0.0009 
            -9.4411     0.0825     0.0091     0.0010 
            -9.3406     0.0543     0.0060     0.0007 
            -9.2402     0.0523     0.0037     0.0004 
            -9.1397     0.0533     0.0027     0.0003 
            -9.0392     0.0362     0.0018     0.0001 
            -8.9388     0.0394     0.0020     0.0001 
            -8.8383     0.0876     0.0049     0.0002 
            -8.7378     0.1260     0.0087     0.0005 
            -8.6374     0.1007     0.0105     0.0008 
            -8.5369     0.0553     0.0110     0.0011 
            -8.4365     0.0529     0.0117     0.0013 
            -8.3360     0.0650     0.0107     0.0012 
            -8.2355     0.0436     0.0082     0.0009 
            -8.1351     0.0120     0.0071     0.0010 
            -8.0346     0.0003     0.0061     0.0009 
            -7.9341     0.0040     0.0044     0.0007 
            -7.8337     0.0187     0.0040     0.0006 
            -7.7332     0.0401     0.0039     0.0005 
            -7.6328     0.0540     0.0036     0.0004 
            -7.5323     0.0472     0.0041     0.0005 
            -7.4318     0.0249     0.0058     0.0009 
            -7.3314     0.0211     0.0067     0.0010 
            -7.2309     0.0575     0.0070     0.0008 
            -7.1304     0.1034     0.0092     0.0009 
            -7.0300     0.1164     0.0129     0.0014 
            -6.9295     0.0871     0.0143     0.0017 
            -6.8291     0.0441     0.0139     0.0016 
            -6.7286     0.0238     0.0150     0.0017 
            -6.6281     0.0253     0.0191     0.0021 
            -6.5277     0.0392     0.0248     0.0027 
            -6.4272     0.0566     0.0278     0.0029 
            -6.3267     0.0577     0.0226     0.0024 
            -6.2263     0.0512     0.0115     0.0014 
            -6.1258     0.0547     0.0040     0.0007 
            -6.0254     0.0598     0.0033     0.0007 
            -5.9249     0.0567     0.0053     0.0010 
            -5.8244     0.0399     0.0064     0.0011 
            -5.7240     0.0255     0.0065     0.0010 
            -5.6235     0.0363     0.0066     0.0011 
            -5.5230     0.0513     0.0081     0.0013 
            -5.4226     0.0384     0.0102     0.0016 
            -5.3221     0.0126     0.0090     0.0014 
            -5.2216     0.0088     0.0057     0.0008 
            -5.1212     0.0303     0.0069     0.0007 
            -5.0207     0.0472     0.0143     0.0014 
            -4.9203     0.0420     0.0249     0.0022 
            -4.8198     0.0352     0.0337     0.0027 
            -4.7193     0.0355     0.0333     0.0026 
            -4.6189     0.0300     0.0269     0.0023 
            -4.5184     0.0231     0.0254     0.0028 
            -4.4179     0.0206     0.0274     0.0032 
            -4.3175     0.0179     0.0288     0.0031 
            -4.2170     0.0151     0.0335     0.0030 
            -4.1166     0.0121     0.0363     0.0027 
            -4.0161     0.0079     0.0354     0.0023 
            -3.9156     0.0065     0.0454     0.0030 
            -3.8152     0.0103     0.0673     0.0048 
            -3.7147     0.0141     0.0834     0.0062 
            -3.6142     0.0126     0.0833     0.0059 
            -3.5138     0.0119     0.0712     0.0048 
            -3.4133     0.0151     0.0574     0.0037 
            -3.3129     0.0147     0.0562     0.0033 
            -3.2124     0.0119     0.0665     0.0038 
            -3.1119     0.0151     0.0688     0.0042 
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            -3.3129     0.0166     0.0605     0.0035 
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            -2.5092     0.0082     0.1081     0.0037 
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            -0.3994     0.0143     0.0441     0.0063 
            -0.2990     0.0112     0.0225     0.0037 
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            -0.0981     0.0120     0.1147     0.0041 
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            -6.2263     0.0313     0.0161     0.0012 
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            -4.2170     0.0250     0.0885     0.0037 
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            -2.0068     0.0056     0.0970     0.0070 
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             3.9205     0.0037     0.0194     0.0190 
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            -2.4087     0.0028     0.0555     0.0027 
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            -2.5092     0.0036     0.0596     0.0065 
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             3.3177     0.0010     0.0102     0.0003 
             3.4181     0.0012     0.0117     0.0003 
             3.5186     0.0020     0.0165     0.0004 
             3.6191     0.0027     0.0179     0.0005 
             3.7195     0.0030     0.0158     0.0005 
             3.8200     0.0027     0.0134     0.0005 
             3.9205     0.0015     0.0090     0.0004 
             4.0209     0.0003     0.0038     0.0002 
             4.1214    -0.0001     0.0009     0.0001 
             4.2218    -0.0001     0.0001     0.0000 
             4.3223    -0.0000    -0.0001    -0.0000 
             4.4228    -0.0000    -0.0001    -0.0000 
             4.5232    -0.0000    -0.0000    -0.0000 
             4.6237    -0.0000    -0.0000    -0.0000 
             4.7242    -0.0000    -0.0000    -0.0000 
             4.8246    -0.0000    -0.0000    -0.0000 
             4.9251    -0.0000    -0.0000    -0.0000 
             5.0255    -0.0000    -0.0000    -0.0000 
             5.1260    -0.0000    -0.0000    -0.0000 
             5.2265    -0.0000    -0.0000    -0.0000 
             5.3269    -0.0000    -0.0000    -0.0000 
             5.4274     0.0000     0.0000     0.0000 
             5.5279     0.0000     0.0000     0.0000 
             5.6283     0.0000     0.0000     0.0000 
             5.7288     0.0000     0.0000     0.0000 
             5.8292     0.0000     0.0000     0.0000 
             5.9297     0.0000     0.0000     0.0000 
             6.0302     0.0000     0.0000     0.0000 
       
       
           -24.1086     0.0000     0.0000     0.0000 
           -24.0082     0.0000     0.0000     0.0000 
           -23.9077     0.0000     0.0000     0.0000 
           -23.8072     0.0000     0.0000     0.0000 
           -23.7068    -0.0000    -0.0000    -0.0000 
           -23.6063    -0.0000    -0.0000    -0.0000 
           -23.5059    -0.0000    -0.0000    -0.0000 
           -23.4054    -0.0000    -0.0000    -0.0000 
           -23.3049    -0.0000    -0.0000    -0.0000 
           -23.2045    -0.0000    -0.0000    -0.0000 
           -23.1040    -0.0000    -0.0000    -0.0000 
           -23.0035    -0.0000    -0.0000    -0.0000 
           -22.9031    -0.0000    -0.0000    -0.0000 
           -22.8026    -0.0000    -0.0000    -0.0000 
           -22.7022    -0.0004    -0.0000    -0.0000 
           -22.6017    -0.0047    -0.0003    -0.0000 
           -22.5012    -0.0330    -0.0021    -0.0001 
           -22.4008    -0.1081    -0.0067    -0.0002 
           -22.3003    -0.0323    -0.0020    -0.0001 
           -22.1998     0.7665     0.0478     0.0016 
           -22.0994     2.0812     0.1297     0.0042 
           -21.9989     2.2760     0.1418     0.0046 
           -21.8985     1.0573     0.0659     0.0021 
           -21.7980     0.0632     0.0039     0.0001 
           -21.6975    -0.1207    -0.0075    -0.0002 
           -21.5971    -0.0462    -0.0029    -0.0001 
           -21.4966    -0.0076    -0.0005    -0.0000 
           -21.3961    -0.0007    -0.0000    -0.0000 
           -21.2957    -0.0000    -0.0000    -0.0000 
           -21.1952    -0.0000    -0.0000    -0.0000 
           -21.0948    -0.0000    -0.0000    -0.0000 
           -20.9943    -0.0000    -0.0000    -0.0000 
           -20.8938    -0.0000    -0.0000    -0.0000 
           -20.7934    -0.0000    -0.0000    -0.0000 
           -20.6929     0.0000     0.0000     0.0000 
           -20.5924     0.0000     0.0000     0.0000 
           -20.4920     0.0000     0.0000     0.0000 
           -20.3915     0.0000     0.0000     0.0000 
           -20.2911     0.0000     0.0000     0.0000 
           -20.1906     0.0000     0.0000     0.0000 
           -20.0901     0.0000     0.0000     0.0000 
           -19.9897     0.0000     0.0000     0.0000 
           -19.8892     0.0000     0.0000     0.0000 
           -19.7887     0.0000     0.0000     0.0000 
           -19.6883     0.0000     0.0000     0.0000 
           -19.5878     0.0000     0.0000     0.0000 
           -19.4874     0.0000     0.0000     0.0000 
           -19.3869     0.0000     0.0000     0.0000 
           -19.2864     0.0000     0.0000     0.0000 
           -19.1860     0.0000     0.0000     0.0000 
           -19.0855     0.0000     0.0000     0.0000 
           -18.9850     0.0000     0.0000     0.0000 
           -18.8846     0.0000     0.0000     0.0000 
           -18.7841     0.0000     0.0000     0.0000 
           -18.6836     0.0000     0.0000     0.0000 
           -18.5832     0.0000     0.0000     0.0000 
           -18.4827     0.0000     0.0000     0.0000 
           -18.3823     0.0000     0.0000     0.0000 
           -18.2818     0.0000     0.0000     0.0000 
           -18.1813     0.0000     0.0000     0.0000 
           -18.0809     0.0000     0.0000     0.0000 
           -17.9804     0.0000     0.0000     0.0000 
           -17.8799     0.0000     0.0000     0.0000 
           -17.7795     0.0000     0.0000     0.0000 
           -17.6790     0.0000     0.0000     0.0000 
           -17.5786     0.0000     0.0000     0.0000 
           -17.4781     0.0000     0.0000     0.0000 
           -17.3776     0.0000     0.0000     0.0000 
           -17.2772     0.0000     0.0000     0.0000 
           -17.1767     0.0000     0.0000     0.0000 
           -17.0762     0.0000     0.0000     0.0000 
           -16.9758     0.0000     0.0000     0.0000 
           -16.8753     0.0000     0.0000     0.0000 
           -16.7749     0.0000     0.0000     0.0000 
           -16.6744     0.0000     0.0000     0.0000 
           -16.5739     0.0000     0.0000     0.0000 
           -16.4735     0.0000     0.0000     0.0000 
           -16.3730     0.0000     0.0000     0.0000 
           -16.2725     0.0000     0.0000     0.0000 
           -16.1721     0.0000     0.0000     0.0000 
           -16.0716     0.0000     0.0000     0.0000 
           -15.9712     0.0000     0.0000     0.0000 
           -15.8707     0.0000     0.0000     0.0000 
           -15.7702     0.0000     0.0000     0.0000 
           -15.6698     0.0000     0.0000     0.0000 
           -15.5693     0.0000     0.0000     0.0000 
           -15.4688     0.0000     0.0000     0.0000 
           -15.3684     0.0000     0.0000     0.0000 
           -15.2679     0.0000     0.0000     0.0000 
           -15.1675     0.0000     0.0000     0.0000 
           -15.0670     0.0000     0.0000     0.0000 
           -14.9665     0.0000     0.0000     0.0000 
           -14.8661     0.0000     0.0000     0.0000 
           -14.7656     0.0000     0.0000     0.0000 
           -14.6651     0.0000     0.0000     0.0000 
           -14.5647     0.0000     0.0000     0.0000 
           -14.4642     0.0000     0.0000     0.0000 
           -14.3638     0.0000     0.0000     0.0000 
           -14.2633    -0.0000    -0.0000    -0.0000 
           -14.1628    -0.0000    -0.0000    -0.0000 
           -14.0624    -0.0000    -0.0000    -0.0000 
           -13.9619    -0.0000    -0.0000    -0.0000 
           -13.8614    -0.0000    -0.0000    -0.0000 
           -13.7610    -0.0000    -0.0000    -0.0000 
           -13.6605    -0.0000    -0.0000    -0.0000 
           -13.5601    -0.0000    -0.0000    -0.0000 
           -13.4596    -0.0000    -0.0000    -0.0000 
           -13.3591    -0.0000    -0.0000    -0.0000 
           -13.2587    -0.0000    -0.0000    -0.0000 
           -13.1582    -0.0000    -0.0000    -0.0000 
           -13.0577    -0.0000    -0.0000    -0.0000 
           -12.9573    -0.0000    -0.0000    -0.0000 
           -12.8568    -0.0000    -0.0000    -0.0000 
           -12.7564     0.0001     0.0000     0.0000 
           -12.6559     0.0004     0.0001     0.0000 
           -12.5554     0.0008     0.0002     0.0000 
           -12.4550     0.0010     0.0002     0.0000 
           -12.3545     0.0007     0.0001     0.0000 
           -12.2540     0.0004     0.0002     0.0000 
           -12.1536     0.0005     0.0004     0.0000 
           -12.0531     0.0007     0.0007     0.0000 
           -11.9526     0.0008     0.0008     0.0000 
           -11.8522     0.0010     0.0006     0.0000 
           -11.7517     0.0013     0.0006     0.0000 
           -11.6513     0.0020     0.0008     0.0000 
           -11.5508     0.0028     0.0012     0.0000 
           -11.4503     0.0031     0.0014     0.0000 
           -11.3499     0.0025     0.0016     0.0000 
           -11.2494     0.0016     0.0018     0.0000 
           -11.1489     0.0013     0.0021     0.0000 
           -11.0485     0.0016     0.0025     0.0000 
           -10.9480     0.0015     0.0025     0.0000 
           -10.8476     0.0020     0.0023     0.0000 
           -10.7471     0.0049     0.0052     0.0000 
           -10.6466     0.0083     0.0094     0.0000 
           -10.5462     0.0080     0.0096     0.0000 
           -10.4457     0.0058     0.0071     0.0000 
           -10.3452     0.0049     0.0067     0.0000 
           -10.2448     0.0054     0.0088     0.0000 
           -10.1443     0.0055     0.0093     0.0000 
           -10.0439     0.0041     0.0073     0.0000 
            -9.9434     0.0032     0.0083     0.0000 
            -9.8429     0.0037     0.0134     0.0000 
            -9.7425     0.0043     0.0174     0.0001 
            -9.6420     0.0054     0.0208     0.0001 
            -9.5415     0.0063     0.0269     0.0001 
            -9.4411     0.0057     0.0376     0.0002 
            -9.3406     0.0094     0.0710     0.0003 
            -9.2402     0.0224     0.1462     0.0004 
            -9.1397     0.0313     0.1983     0.0005 
            -9.0392     0.0232     0.1492     0.0003 
            -8.9388     0.0107     0.0899     0.0002 
            -8.8383     0.0100     0.1494     0.0004 
            -8.7378     0.0158     0.2465     0.0006 
            -8.6374     0.0146     0.2244     0.0006 
            -8.5369     0.0078     0.1238     0.0003 
            -8.4365     0.0044     0.1379     0.0003 
            -8.3360     0.0057     0.3623     0.0008 
            -8.2355     0.0068     0.5737     0.0012 
            -8.1351     0.0051     0.4910     0.0010 
            -8.0346     0.0023     0.2356     0.0005 
            -7.9341     0.0004     0.0888     0.0002 
            -7.8337     0.0002     0.0940     0.0002 
            -7.7332     0.0027     0.1523     0.0005 
            -7.6328     0.0066     0.1996     0.0007 
            -7.5323     0.0069     0.1781     0.0007 
            -7.4318     0.0034     0.0916     0.0004 
            -7.3314     0.0007     0.0307     0.0002 
            -7.2309     0.0011     0.0423     0.0003 
            -7.1304     0.0030     0.1005     0.0006 
            -7.0300     0.0037     0.1385     0.0008 
            -6.9295     0.0031     0.1517     0.0009 
            -6.8291     0.0035     0.2291     0.0014 
            -6.7286     0.0051     0.3913     0.0023 
            -6.6281     0.0072     0.6149     0.0034 
            -6.5277     0.0129     0.9409     0.0051 
            -6.4272     0.0203     1.1964     0.0062 
            -6.3267     0.0199     1.0455     0.0052 
            -6.2263     0.0124     0.6473     0.0031 
            -6.1258     0.0071     0.4337     0.0020 
            -6.0254     0.0046     0.4366     0.0019 
            -5.9249     0.0025     0.4284     0.0018 
            -5.8244     0.0016     0.3127     0.0013 
            -5.7240     0.0018     0.2303     0.0009 
            -5.6235     0.0016     0.2904     0.0012 
            -5.5230     0.0009     0.3797     0.0016 
            -5.4226     0.0004     0.3358     0.0014 
            -5.3221     0.0002     0.1719     0.0007 
            -5.2216     0.0002     0.0487     0.0002 
            -5.1212     0.0004     0.0380     0.0001 
            -5.0207     0.0009     0.0745     0.0002 
            -4.9203     0.0013     0.0931     0.0003 
            -4.8198     0.0013     0.0866     0.0002 
            -4.7193     0.0010     0.0679     0.0002 
            -4.6189     0.0009     0.0524     0.0001 
            -4.5184     0.0014     0.0512     0.0001 
            -4.4179     0.0016     0.0527     0.0002 
            -4.3175     0.0010     0.0456     0.0001 
            -4.2170     0.0004     0.0360     0.0001 
            -4.1166     0.0006     0.0270     0.0001 
            -4.0161     0.0007     0.0205     0.0000 
            -3.9156     0.0009     0.0221     0.0001 
            -3.8152     0.0021     0.0307     0.0001 
            -3.7147     0.0032     0.0420     0.0001 
            -3.6142     0.0026     0.0561     0.0001 
            -3.5138     0.0014     0.0675     0.0001 
            -3.4133     0.0010     0.0611     0.0001 
            -3.3129     0.0011     0.0414     0.0001 
            -3.2124     0.0015     0.0294     0.0001 
            -3.1119     0.0027     0.0302     0.0001 
            -3.0115     0.0040     0.0424     0.0001 
            -2.9110     0.0041     0.0689     0.0001 
            -2.8105     0.0032     0.0899     0.0001 
            -2.7101     0.0025     0.0737     0.0001 
            -2.6096     0.0023     0.0348     0.0001 
            -2.5092     0.0017     0.0149     0.0001 
            -2.4087     0.0009     0.0231     0.0000 
            -2.3082     0.0005     0.0376     0.0000 
            -2.2078     0.0006     0.0423     0.0001 
            -2.1073     0.0009     0.0415     0.0001 
            -2.0068     0.0013     0.0417     0.0001 
            -1.9064     0.0017     0.0443     0.0002 
            -1.8059     0.0017     0.0447     0.0001 
            -1.7055     0.0013     0.0397     0.0001 
            -1.6050     0.0012     0.0381     0.0001 
            -1.5045     0.0018     0.0467     0.0002 
            -1.4041     0.0025     0.0574     0.0003 
            -1.3036     0.0024     0.0543     0.0002 
            -1.2031     0.0017     0.0399     0.0002 
            -1.1027     0.0016     0.0360     0.0002 
            -1.0022     0.0022     0.0447     0.0002 
            -0.9018     0.0022     0.0474     0.0002 
            -0.8013     0.0013     0.0448     0.0001 
            -0.7008     0.0008     0.0421     0.0001 
            -0.6004     0.0005     0.0293     0.0000 
            -0.4999     0.0001     0.0105     0.0000 
            -0.3994     0.0002     0.0034     0.0001 
            -0.2990     0.0018     0.0137     0.0002 
            -0.1985     0.0048     0.0314     0.0005 
            -0.0981     0.0090     0.0407     0.0006 
             0.0024     0.0164     0.0449     0.0007 
             0.1029     0.0284     0.0709     0.0012 
             0.2033     0.0476     0.1434     0.0026 
             0.3038     0.0640     0.2147     0.0041 
             0.4043     0.0556     0.2031     0.0040 
             0.5047     0.0316     0.1380     0.0027 
             0.6052     0.0139     0.0778     0.0014 
             0.7057     0.0051     0.0331     0.0004 
             0.8061     0.0015     0.0123     0.0001 
             0.9066     0.0007     0.0127     0.0002 
             1.0070     0.0014     0.0166     0.0003 
             1.1075     0.0026     0.0170     0.0003 
             1.2080     0.0029     0.0230     0.0005 
             1.3084     0.0023     0.0321     0.0007 
             1.4089     0.0021     0.0294     0.0007 
             1.5094     0.0026     0.0207     0.0005 
             1.6098     0.0027     0.0224     0.0005 
             1.7103     0.0024     0.0296     0.0006 
             1.8107     0.0032     0.0271     0.0005 
             1.9112     0.0045     0.0193     0.0004 
             2.0117     0.0036     0.0189     0.0004 
             2.1121     0.0018     0.0257     0.0005 
             2.2126     0.0017     0.0347     0.0006 
             2.3131     0.0029     0.0405     0.0007 
             2.4135     0.0036     0.0379     0.0007 
             2.5140     0.0031     0.0319     0.0005 
             2.6144     0.0023     0.0284     0.0005 
             2.7149     0.0019     0.0261     0.0006 
             2.8154     0.0020     0.0260     0.0005 
             2.9158     0.0024     0.0280     0.0005 
             3.0163     0.0022     0.0260     0.0004 
             3.1168     0.0016     0.0194     0.0004 
             3.2172     0.0012     0.0134     0.0004 
             3.3177     0.0010     0.0104     0.0003 
             3.4181     0.0013     0.0126     0.0003 
             3.5186     0.0019     0.0176     0.0004 
             3.6191     0.0025     0.0186     0.0005 
             3.7195     0.0027     0.0165     0.0005 
             3.8200     0.0024     0.0146     0.0005 
             3.9205     0.0013     0.0104     0.0003 
             4.0209     0.0003     0.0047     0.0002 
             4.1214    -0.0001     0.0012     0.0000 
             4.2218    -0.0001     0.0000    -0.0000 
             4.3223    -0.0000    -0.0002    -0.0000 
             4.4228    -0.0000    -0.0001    -0.0000 
             4.5232    -0.0000    -0.0000    -0.0000 
             4.6237    -0.0000    -0.0000    -0.0000 
             4.7242    -0.0000    -0.0000    -0.0000 
             4.8246    -0.0000    -0.0000    -0.0000 
             4.9251    -0.0000    -0.0000    -0.0000 
             5.0255    -0.0000    -0.0000    -0.0000 
             5.1260    -0.0000    -0.0000    -0.0000 
             5.2265    -0.0000    -0.0000    -0.0000 
             5.3269    -0.0000    -0.0000    -0.0000 
             5.4274     0.0000     0.0000     0.0000 
             5.5279     0.0000     0.0000     0.0000 
             5.6283     0.0000     0.0000     0.0000 
             5.7288     0.0000     0.0000     0.0000 
             5.8292     0.0000     0.0000     0.0000 
             5.9297     0.0000     0.0000     0.0000 
             6.0302     0.0000     0.0000     0.0000 
       
      
     
    
   
  
  
   
    
     band
     kpoint
     spin
     eigene
     occ
     
      
       
          -22.1086    1.0000 
          -12.6120    1.0000 
          -11.6633    1.0000 
          -11.6099    1.0000 
          -11.1737    1.0000 
          -10.6062    1.0000 
          -10.3903    1.0000 
          -10.2983    1.0000 
          -10.1160    1.0000 
          -10.0906    1.0000 
           -9.7811    1.0000 
           -9.4330    1.0000 
           -9.2607    1.0000 
           -9.2091    1.0000 
           -8.7093    1.0000 
           -8.6086    1.0000 
           -8.5741    1.0000 
           -8.3995    1.0000 
           -8.1538    1.0000 
           -7.8494    1.0000 
           -7.7401    1.0000 
           -7.6328    1.0000 
           -7.2085    1.0000 
           -7.0655    1.0000 
           -6.6764    1.0000 
           -6.6204    1.0000 
           -6.5259    1.0000 
           -6.4314    1.0000 
           -6.2473    1.0000 
           -6.1375    1.0000 
           -6.0150    1.0000 
           -5.5399    1.0000 
           -4.9744    1.0000 
           -4.8744    1.0000 
           -4.6614    1.0000 
           -4.4664    1.0000 
           -4.2441    1.0000 
           -3.9951    1.0000 
           -3.7985    1.0000 
           -3.7415    1.0000 
           -3.6591    1.0000 
           -3.5824    1.0000 
           -3.4023    1.0000 
           -3.3017    1.0000 
           -3.2305    1.0000 
           -3.1964    1.0000 
           -3.0489    1.0000 
           -2.8962    1.0000 
           -2.8247    1.0000 
           -2.7852    1.0000 
           -2.7130    1.0000 
           -2.6455    1.0000 
           -2.4113    1.0000 
           -2.2158    1.0000 
           -2.2122    1.0000 
           -2.1125    1.0000 
           -1.9050    1.0000 
           -1.8742    1.0000 
           -1.7744    1.0000 
           -1.6086    1.0000 
           -1.5069    1.0000 
           -1.4252    1.0000 
           -1.2918    1.0000 
           -1.2110    1.0003 
           -1.0331    1.0103 
           -1.0019    1.0159 
           -0.9390    1.0299 
           -0.7494    0.8704 
           -0.6644    0.5635 
           -0.5072    0.0365 
           -0.1322   -0.0008 
            0.2984   -0.0000 
            0.5128   -0.0000 
            0.6413   -0.0000 
            0.8227   -0.0000 
            0.9951   -0.0000 
            1.0753   -0.0000 
            1.2070   -0.0000 
            1.2100   -0.0000 
            1.3586   -0.0000 
            1.4455   -0.0000 
            1.4779   -0.0000 
            1.5783   -0.0000 
            1.7054   -0.0000 
            1.8644   -0.0000 
            1.8727   -0.0000 
            2.0251   -0.0000 
            2.0613   -0.0000 
            2.0956   -0.0000 
            2.2404   -0.0000 
            2.2959   -0.0000 
            2.4258   -0.0000 
            2.5105   -0.0000 
            2.6334   -0.0000 
            2.7305   -0.0000 
            2.7733   -0.0000 
            2.9104   -0.0000 
            3.0257   -0.0000 
            3.1795   -0.0000 
            3.2532   -0.0000 
            3.4022   -0.0000 
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           -2.8085    1.0000 
           -2.6768    1.0000 
           -2.5658    1.0000 
           -2.5440    1.0000 
           -2.3788    1.0000 
           -2.2371    1.0000 
           -2.1662    1.0000 
           -2.0507    1.0000 
           -1.7140    1.0000 
           -1.6440    1.0000 
           -1.3612    1.0000 
           -1.3164    1.0000 
           -1.2650    1.0001 
           -1.1014    1.0032 
           -1.0370    1.0097 
           -0.9123    1.0344 
           -0.7872    0.9562 
           -0.3930   -0.0350 
           -0.1652   -0.0016 
            0.2537   -0.0000 
            0.5450   -0.0000 
            0.6785   -0.0000 
            0.8958   -0.0000 
            1.0034   -0.0000 
            1.3008   -0.0000 
            1.4521   -0.0000 
            1.5414   -0.0000 
            1.6915   -0.0000 
            1.7642   -0.0000 
            1.8724   -0.0000 
            1.9850   -0.0000 
            2.0998   -0.0000 
            2.2556   -0.0000 
            2.3391   -0.0000 
            2.3626   -0.0000 
            2.4752   -0.0000 
            2.5923   -0.0000 
            2.6460   -0.0000 
            2.7344   -0.0000 
            2.7801   -0.0000 
            2.8663   -0.0000 
            2.9827   -0.0000 
            3.0812   -0.0000 
            3.1349   -0.0000 
            3.2581   -0.0000 
            3.3199   -0.0000 
            3.4561   -0.0000 
            3.4824   -0.0000 
            3.5875   -0.0000 
            3.6556   -0.0000 
            3.7099   -0.0000 
            3.7988   -0.0000 
            3.8562   -0.0000 
       
      
     
    
   
   
    ion
    band
    kpoint
    spin
      s  
      p  
      d  
    
     
      
       
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
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          0.0001  0.0000  0.0000 
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          0.1293  0.1323  0.0711 
          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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          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0008  0.0000  0.0000 
          0.5922  0.0362  0.0012 
       
       
          0.0036  0.0004  0.0000 
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          0.0064  0.0006  0.0000 
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          0.0352  0.0018  0.0001 
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          0.0263  0.0001  0.0002 
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          0.0000  0.0000  0.0000 
          0.0008  0.0003  0.0000 
       
       
          0.0118  0.0013  0.0000 
          0.0026  0.0004  0.0000 
          0.0181  0.0011  0.0001 
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          0.0290  0.0007  0.0000 
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          0.0040  0.0031  0.0001 
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          0.0198  0.0018  0.0002 
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          0.0149  0.0006  0.0000 
          0.0237  0.0008  0.0000 
          0.0019  0.0012  0.0000 
          0.0019  0.0024  0.0001 
          0.0168  0.0016  0.0001 
          0.0025  0.0004  0.0000 
          0.0106  0.0015  0.0001 
          0.0003  0.0008  0.0001 
          0.0349  0.0009  0.0000 
          0.0190  0.0000  0.0001 
          0.0208  0.0011  0.0001 
          0.0149  0.0026  0.0002 
          0.0052  0.0015  0.0002 
          0.0022  0.0005  0.0001 
          0.0034  0.0008  0.0001 
          0.0000  0.0001  0.0000 
          0.0102  0.0003  0.0000 
          0.0282  0.0011  0.0000 
          0.0012  0.0010  0.0001 
          0.0044  0.0015  0.0001 
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0011  0.0005  0.0000 
       
       
          0.0011  0.0004  0.0001 
          0.0220  0.0015  0.0001 
          0.0044  0.0017  0.0001 
          0.0628  0.0006  0.0002 
          0.0000  0.0010  0.0001 
          0.0022  0.0042  0.0002 
          0.0213  0.0022  0.0001 
          0.0228  0.0022  0.0001 
          0.0207  0.0017  0.0001 
          0.0001  0.0001  0.0000 
          0.0322  0.0005  0.0002 
          0.0001  0.0000  0.0000 
          0.0028  0.0015  0.0001 
          0.0191  0.0008  0.0001 
          0.0005  0.0014  0.0001 
          0.0309  0.0001  0.0001 
          0.0005  0.0003  0.0001 
          0.0359  0.0024  0.0001 
          0.0003  0.0002  0.0000 
          0.0273  0.0004  0.0002 
          0.0004  0.0012  0.0001 
          0.0004  0.0022  0.0001 
          0.0039  0.0008  0.0000 
          0.0021  0.0011  0.0001 
          0.0056  0.0014  0.0002 
          0.0000  0.0000  0.0000 
          0.0209  0.0006  0.0001 
          0.0001  0.0000  0.0000 
          0.0100  0.0020  0.0001 
          0.0151  0.0007  0.0001 
          0.0009  0.0013  0.0001 
          0.0305  0.0001  0.0001 
          0.0001  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0012  0.0007  0.0000 
       
       
          0.0019  0.0010  0.0001 
          0.0003  0.0007  0.0001 
          0.0084  0.0009  0.0001 
          0.0059  0.0009  0.0001 
          0.0096  0.0019  0.0001 
          0.0059  0.0026  0.0001 
          0.0150  0.0013  0.0001 
          0.0119  0.0011  0.0002 
          0.0002  0.0011  0.0002 
          0.0136  0.0022  0.0003 
          0.0172  0.0009  0.0001 
          0.0079  0.0026  0.0003 
          0.0007  0.0042  0.0003 
          0.0026  0.0027  0.0002 
          0.0426  0.0007  0.0003 
          0.0330  0.0010  0.0002 
          0.0002  0.0014  0.0002 
          0.0035  0.0012  0.0001 
          0.0271  0.0004  0.0001 
          0.0186  0.0002  0.0001 
          0.0113  0.0023  0.0001 
          0.0083  0.0021  0.0001 
          0.0188  0.0014  0.0001 
          0.0229  0.0010  0.0002 
          0.0000  0.0018  0.0001 
          0.0176  0.0024  0.0003 
          0.0054  0.0003  0.0001 
          0.0074  0.0026  0.0003 
          0.0071  0.0039  0.0003 
          0.0048  0.0027  0.0001 
          0.0433  0.0003  0.0002 
          0.0166  0.0007  0.0002 
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0000  0.0007  0.0000 
       
       
          0.0023  0.0004  0.0000 
          0.0007  0.0004  0.0001 
          0.0004  0.0007  0.0000 
          0.0011  0.0018  0.0002 
          0.0255  0.0001  0.0002 
          0.0333  0.0010  0.0001 
          0.0044  0.0008  0.0001 
          0.0000  0.0025  0.0002 
          0.0097  0.0019  0.0002 
          0.0346  0.0006  0.0001 
          0.0011  0.0031  0.0002 
          0.0160  0.0014  0.0001 
          0.0158  0.0001  0.0002 
          0.0000  0.0017  0.0003 
          0.0012  0.0052  0.0004 
          0.0126  0.0013  0.0001 
          0.0018  0.0009  0.0001 
          0.0290  0.0026  0.0001 
          0.0074  0.0008  0.0000 
          0.0027  0.0023  0.0002 
          0.0008  0.0012  0.0002 
          0.0235  0.0020  0.0003 
          0.0042  0.0011  0.0001 
          0.0144  0.0029  0.0004 
          0.0054  0.0012  0.0001 
          0.0022  0.0005  0.0002 
          0.0069  0.0015  0.0002 
          0.0030  0.0013  0.0003 
          0.0647  0.0007  0.0002 
          0.0362  0.0006  0.0001 
          0.0006  0.0071  0.0003 
          0.0278  0.0012  0.0000 
          0.0000  0.0000  0.0000 
          0.0001  0.0000  0.0000 
          0.0007  0.0013  0.0000 
       
       
          0.0001  0.0012  0.0003 
          0.0253  0.0017  0.0001 
          0.0023  0.0009  0.0001 
          0.0222  0.0005  0.0001 
          0.0148  0.0011  0.0002 
          0.0022  0.0025  0.0003 
          0.0033  0.0016  0.0003 
          0.0003  0.0020  0.0002 
          0.0012  0.0008  0.0001 
          0.0000  0.0009  0.0002 
          0.0040  0.0008  0.0001 
          0.0123  0.0029  0.0004 
          0.0246  0.0009  0.0003 
          0.0445  0.0011  0.0000 
          0.0067  0.0061  0.0003 
          0.0159  0.0017  0.0002 
          0.0148  0.0012  0.0001 
          0.0024  0.0005  0.0002 
          0.0259  0.0018  0.0002 
          0.0027  0.0014  0.0002 
          0.0161  0.0005  0.0003 
          0.0245  0.0008  0.0001 
          0.0021  0.0013  0.0002 
          0.0343  0.0013  0.0002 
          0.0012  0.0014  0.0001 
          0.0531  0.0015  0.0001 
          0.0001  0.0010  0.0001 
          0.0090  0.0016  0.0002 
          0.0056  0.0005  0.0003 
          0.0004  0.0018  0.0003 
          0.0064  0.0028  0.0002 
          0.0222  0.0016  0.0001 
          0.0000  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0003  0.0005  0.0000 
       
       
          0.0073  0.0012  0.0002 
          0.0187  0.0017  0.0002 
          0.0054  0.0038  0.0004 
          0.0043  0.0045  0.0004 
          0.0100  0.0013  0.0004 
          0.0012  0.0027  0.0004 
          0.0407  0.0004  0.0001 
          0.0290  0.0005  0.0003 
          0.0026  0.0004  0.0001 
          0.0272  0.0018  0.0003 
          0.0016  0.0010  0.0002 
          0.0017  0.0016  0.0003 
          0.0311  0.0016  0.0004 
          0.0014  0.0008  0.0003 
          0.0303  0.0012  0.0001 
          0.0126  0.0005  0.0001 
          0.0129  0.0018  0.0003 
          0.0025  0.0006  0.0002 
          0.0455  0.0001  0.0001 
          0.0256  0.0002  0.0002 
          0.0031  0.0014  0.0003 
          0.0101  0.0014  0.0002 
          0.0081  0.0019  0.0003 
          0.0072  0.0022  0.0003 
          0.0112  0.0011  0.0001 
          0.0003  0.0016  0.0003 
          0.0114  0.0003  0.0000 
          0.0200  0.0026  0.0002 
          0.0000  0.0013  0.0004 
          0.0050  0.0003  0.0003 
          0.0139  0.0027  0.0005 
          0.0034  0.0007  0.0002 
          0.0001  0.0000  0.0000 
          0.0002  0.0000  0.0000 
          0.0019  0.0036  0.0000 
       
       
          0.0334  0.0021  0.0002 
          0.0027  0.0010  0.0002 
          0.0660  0.0003  0.0005 
          0.0010  0.0007  0.0002 
          0.0177  0.0015  0.0003 
          0.0002  0.0022  0.0003 
          0.0040  0.0034  0.0006 
          0.0253  0.0013  0.0004 
          0.0130  0.0008  0.0000 
          0.0007  0.0018  0.0002 
          0.0115  0.0002  0.0001 
          0.0000  0.0005  0.0001 
          0.0093  0.0007  0.0001 
          0.0034  0.0015  0.0004 
          0.0000  0.0011  0.0001 
          0.0009  0.0003  0.0001 
          0.0263  0.0013  0.0004 
          0.0069  0.0010  0.0002 
          0.0086  0.0026  0.0005 
          0.0365  0.0012  0.0003 
          0.0458  0.0006  0.0003 
          0.0008  0.0008  0.0001 
          0.0625  0.0009  0.0005 
          0.0003  0.0006  0.0001 
          0.0029  0.0005  0.0001 
          0.0098  0.0012  0.0002 
          0.0071  0.0004  0.0000 
          0.0018  0.0010  0.0001 
          0.0023  0.0008  0.0002 
          0.0001  0.0023  0.0004 
          0.0188  0.0004  0.0000 
          0.0003  0.0005  0.0002 
          0.0001  0.0000  0.0000 
          0.0000  0.0000  0.0000 
          0.0006  0.0010  0.0000 
       
       
          0.0222  0.0026  0.0002 
          0.0133  0.0012  0.0001 
          0.0008  0.0036  0.0004 
          0.0018  0.0009  0.0002 
          0.0366  0.0015  0.0002 
          0.0099  0.0012  0.0002 
          0.0000  0.0037  0.0004 
          0.0006  0.0018  0.0002 
          0.0049  0.0004  0.0000 
          0.0001  0.0021  0.0002 
          0.0029  0.0017  0.0002 
          0.0031  0.0009  0.0001 
          0.0224  0.0022  0.0002 
          0.0508  0.0022  0.0003 
          0.0153  0.0004  0.0004 
          0.0118  0.0029  0.0006 
          0.0215  0.0029  0.0002 
          0.0049  0.0008  0.0001 
          0.0027  0.0026  0.0004 
          0.0000  0.0011  0.0002 
          0.0294  0.0018  0.0002 
          0.0215  0.0006  0.0001 
          0.0003  0.0033  0.0004 
          0.0000  0.0021  0.0002 
          0.0070  0.0014  0.0002 
          0.0005  0.0021  0.0002 
          0.0053  0.0004  0.0002 
          0.0016  0.0006  0.0001 
          0.0157  0.0022  0.0002 
          0.0558  0.0022  0.0003 
          0.0177  0.0005  0.0004 
          0.0144  0.0030  0.0007 
          0.0000  0.0000  0.0000 
          0.0003  0.0000  0.0000 
          0.0007  0.0053  0.0000 
       
       
          0.0035  0.0004  0.0000 
          0.0030  0.0008  0.0001 
          0.0000  0.0011  0.0001 
          0.0146  0.0002  0.0001 
          0.0002  0.0019  0.0002 
          0.0067  0.0034  0.0003 
          0.0079  0.0004  0.0001 
          0.0009  0.0017  0.0001 
          0.0101  0.0068  0.0007 
          0.0090  0.0029  0.0003 
          0.0518  0.0021  0.0001 
          0.0182  0.0030  0.0003 
          0.0002  0.0016  0.0002 
          0.0085  0.0010  0.0003 
          0.0075  0.0047  0.0002 
          0.0135  0.0021  0.0004 
          0.0061  0.0005  0.0000 
          0.0000  0.0010  0.0001 
          0.0001  0.0014  0.0002 
          0.0040  0.0006  0.0001 
          0.0016  0.0022  0.0001 
          0.0002  0.0027  0.0002 
          0.0170  0.0001  0.0001 
          0.0090  0.0011  0.0001 
          0.0042  0.0186  0.0015 
          0.0131  0.0034  0.0003 
          0.0777  0.0009  0.0003 
          0.0107  0.0027  0.0003 
          0.0024  0.0008  0.0001 
          0.0038  0.0018  0.0003 
          0.0099  0.0034  0.0002 
          0.0308  0.0032  0.0004 
          0.0007  0.0000  0.0000 
          0.0015  0.0000  0.0000 
          0.0001  0.0277  0.0001 
       
       
          0.0019  0.0002  0.0000 
          0.0172  0.0010  0.0001 
          0.0000  0.0009  0.0000 
          0.0000  0.0015  0.0002 
          0.0004  0.0007  0.0001 
          0.0157  0.0045  0.0002 
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          0.0010  0.0014  0.0002 
          0.0179  0.0024  0.0003 
          0.0065  0.0018  0.0002 
          0.0002  0.0087  0.0008 
          0.0200  0.0016  0.0000 
          0.0199  0.0019  0.0002 
          0.0047  0.0004  0.0000 
          0.0001  0.0048  0.0004 
          0.0034  0.0004  0.0001 
          0.0071  0.0003  0.0000 
          0.0115  0.0012  0.0001 
          0.0011  0.0012  0.0001 
          0.0008  0.0016  0.0002 
          0.0024  0.0005  0.0000 
          0.0192  0.0058  0.0004 
          0.0027  0.0001  0.0000 
          0.0063  0.0048  0.0004 
          0.0931  0.0005  0.0024 
          0.0016  0.0021  0.0002 
          0.0131  0.0034  0.0004 
          0.0070  0.0013  0.0001 
          0.0284  0.0013  0.0002 
          0.0008  0.0010  0.0001 
          0.0036  0.0040  0.0003 
          0.0007  0.0012  0.0001 
          0.0001  0.0000  0.0000 
          0.0060  0.0000  0.0000 
          0.0132  0.0925  0.0002 
       
       
          0.0219  0.0008  0.0001 
          0.0097  0.0007  0.0003 
          0.0119  0.0020  0.0002 
          0.0138  0.0020  0.0004 
          0.0131  0.0002  0.0001 
          0.0091  0.0043  0.0006 
          0.0025  0.0011  0.0002 
          0.0103  0.0022  0.0003 
          0.0277  0.0027  0.0003 
          0.0062  0.0025  0.0003 
          0.0356  0.0012  0.0004 
          0.0060  0.0004  0.0002 
          0.0150  0.0026  0.0001 
          0.0000  0.0028  0.0002 
          0.0060  0.0022  0.0002 
          0.0000  0.0022  0.0002 
          0.0137  0.0003  0.0002 
          0.0393  0.0008  0.0002 
          0.0034  0.0025  0.0003 
          0.0152  0.0026  0.0003 
          0.0105  0.0004  0.0001 
          0.0373  0.0006  0.0002 
          0.0067  0.0014  0.0002 
          0.0123  0.0020  0.0004 
          0.0060  0.0038  0.0004 
          0.0087  0.0020  0.0002 
          0.0146  0.0009  0.0002 
          0.0278  0.0008  0.0001 
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          0.0005  0.0020  0.0001 
          0.0022  0.0039  0.0003 
          0.0023  0.0015  0.0001 
          0.0002  0.0000  0.0000 
          0.0005  0.0000  0.0000 
          0.0012  0.0097  0.0000 
       
       
          0.0253  0.0014  0.0000 
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          0.0013  0.0043  0.0004 
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          0.0189  0.0011  0.0000 
          0.0000  0.0001  0.0000 
          0.0630  0.0010  0.0003 
          0.0000  0.0015  0.0002 
          0.0201  0.0032  0.0004 
          0.0136  0.0019  0.0001 
          0.0011  0.0029  0.0003 
          0.0001  0.0017  0.0004 
          0.0169  0.0004  0.0001 
          0.0127  0.0008  0.0001 
          0.0086  0.0011  0.0001 
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          0.0024  0.0081  0.0003 
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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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