vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:35:12 
 
 
  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
        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      0.00000000      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      0.00000000      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 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.86140603       0.83584657       0.99400639 
           0.84181709       0.60459162       0.29658838 
           0.97710173       0.76759890       0.19400453 
           0.11655812       0.55733893       0.22311686 
           0.84801100       0.63788085       0.98388888 
           0.84627356       0.78292356       0.70109375 
           0.99219492       0.65432081       0.15677337 
           0.02740745       0.71081513       0.38689267 
           0.79554167       0.07268202       0.52526061 
           0.83763348       0.50473740       0.96061093 
           0.90367896       0.69416294       0.81047762 
           0.12454476       0.40450056       0.81990891 
           0.85813095       0.58631964       0.57134753 
           0.85889166       0.66068803       0.98606417 
           0.10134498       0.54127849       0.70764622 
           0.89515019       0.67171292       0.91775612 
           0.37337462       0.71875911       0.06527595 
           0.32894908       0.53847769       0.46477540 
           0.77303461       0.77970939       0.19016183 
           0.57627892       0.56042418       0.22070267 
           0.34550397       0.65077110       0.04822480 
           0.36114707       0.65476899       0.34116274 
           0.70659035       0.65638389       0.13521815 
           0.66705384       0.70195965       0.38171151 
           0.31551046       0.64701538       0.41717160 
           0.35457911       0.51545216       0.02807598 
           0.76092025       0.68929243       0.77158705 
           0.57491907       0.40650654       0.81915787 
           0.35217476       0.47211535       0.56695434 
           0.34069196       0.71952480       0.74743421 
           0.66380704       0.54136866       0.70290548 
           0.81561676       0.66741864       0.90306963 
           0.06486194       0.85189113       0.40124235 
           0.69789922       0.32877558       0.52891385 
           0.13304676       0.61221636       0.57943417 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          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
       88
       -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  
          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      0.00000000      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      0.00000000      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
         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
    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 
   
  
  
          0.86140603       0.83584657       0.99400639 
          0.84181709       0.60459162       0.29658838 
          0.97710173       0.76759890       0.19400453 
          0.11655812       0.55733893       0.22311686 
          0.84801100       0.63788085       0.98388888 
          0.84627356       0.78292356       0.70109375 
          0.99219492       0.65432081       0.15677337 
          0.02740745       0.71081513       0.38689267 
          0.79554167       0.07268202       0.52526061 
          0.83763348       0.50473740       0.96061093 
          0.90367896       0.69416294       0.81047762 
          0.12454476       0.40450056       0.81990891 
          0.85813095       0.58631964       0.57134753 
          0.85889166       0.66068803       0.98606417 
          0.10134498       0.54127849       0.70764622 
          0.89515019       0.67171292       0.91775612 
          0.37337462       0.71875911       0.06527595 
          0.32894908       0.53847769       0.46477540 
          0.77303461       0.77970939       0.19016183 
          0.57627892       0.56042418       0.22070267 
          0.34550397       0.65077110       0.04822480 
          0.36114707       0.65476899       0.34116274 
          0.70659035       0.65638389       0.13521815 
          0.66705384       0.70195965       0.38171151 
          0.31551046       0.64701538       0.41717160 
          0.35457911       0.51545216       0.02807598 
          0.76092025       0.68929243       0.77158705 
          0.57491907       0.40650654       0.81915787 
          0.35217476       0.47211535       0.56695434 
          0.34069196       0.71952480       0.74743421 
          0.66380704       0.54136866       0.70290548 
          0.81561676       0.66741864       0.90306963 
          0.06486194       0.85189113       0.40124235 
          0.69789922       0.32877558       0.52891385 
          0.13304676       0.61221636       0.57943417 
  
 
 
  
       6.17    6.24
       6.70    6.78
   
         24.76344702 
       9460.40727853 
     -11505.10713829 
       -276.42267053 
       3170.77583059 
      -2609.60722799 
          0.01404695 
       -254.54124392 
       3755.32434067 
       1765.60666304 
       1765.59261609 
       1765.60198072 
   
  
  
       9.06    9.11
       9.06    9.11
   
        769.13703065 
        769.13594171 
        769.13666767 
   
  
  
       9.75    9.80
       9.75    9.80
   
        454.70953698 
        454.73874421 
        454.71927272 
   
  
  
       8.53    8.61
       8.53    8.61
   
        416.18125212 
        416.20489839 
        416.18913421 
   
  
  
       8.62    8.68
       8.74    8.80
   
        410.95430143 
        410.95874367 
        410.95578218 
   
  
  
       8.08    8.13
       8.63    8.69
   
        547.73426396 
        547.71741032 
        547.72864608 
   
  
  
       7.92    8.00
       8.47    8.56
   
        679.12662445 
        679.16055068 
        679.13793319 
   
  
  
       7.45    7.51
       8.01    8.06
   
        659.11205608 
        659.14068925 
        659.12160047 
   
  
  
       8.15    8.23
       8.71    8.79
   
        644.75338360 
        644.77960369 
        644.76212363 
   
  
  
       7.92    7.97
       8.48    8.53
   
        630.14771471 
        630.17509164 
        630.15684035 
   
  
  
       6.81    6.87
       7.37    7.43
   
        641.65980531 
        641.68559994 
        641.66840352 
   
  
  
       7.96    8.02
       8.51    8.58
   
        677.20499170 
        677.21677971 
        677.20892104 
   
  
  
       8.20    8.27
       8.75    8.82
   
        675.30163720 
        675.28877995 
        675.29735145 
   
  
  
       7.31    7.37
       7.87    7.94
   
        673.18612216 
        673.19534494 
        673.18919642 
   
  
  
       7.37    7.43
       7.97    8.03
   
        602.75808284 
        602.76775541 
        602.76130703 
   
  
  
       6.41    6.47
       6.97    7.04
   
        586.28170824 
        586.28323798 
        586.28221815 
   
  
  
       6.89    6.95
       7.45    7.51
   
        557.42297352 
        557.41599958 
        557.42064888 
   
  
  
       7.27    7.33
       7.84    7.90
   
        581.52633229 
        581.55923589 
        581.53730016 
   
  
  
       7.71    7.77
       8.28    8.34
   
        637.16501192 
        637.17552389 
        637.16851591 
   
  
  
       8.30    8.37
       8.88    8.95
   
        659.44465481 
        659.44411530 
        659.44447498 
   
  
  
       7.92    7.98
       8.50    8.56
   
        661.47797079 
        661.49203993 
        661.48266050 
   
  
  
       7.46    7.53
       8.03    8.10
   
        659.46346744 
        659.46508597 
        659.46400695 
   
  
  
       6.90    6.96
       7.48    7.55
   
        658.24745515 
        658.23737938 
        658.24409656 
   
  
  
       8.16    8.23
       8.74    8.81
   
        658.18974759 
        658.17767948 
        658.18572489 
   
  
  
       6.89    6.95
       7.46    7.53
   
        658.04019910 
        658.02842198 
        658.03627339 
   
  
  
       6.67    6.72
       7.25    7.31
   
        658.01309802 
        658.00453051 
        658.01024219 
   
  
  
       6.86    6.91
       7.44    7.50
   
        658.61134824 
        658.60316873 
        658.60862174 
   
  
  
       6.33    6.39
       6.92    6.98
   
        659.51851947 
        659.50906912 
        659.51536935 
   
  
  
       6.22    6.28
       6.81    6.88
   
        673.25260537 
        673.27040925 
        673.25854000 
   
  
  
       7.57    7.64
       8.15    8.22
   
        676.73809255 
        676.75806634 
        676.74475048 
   
  
  
       6.95    7.01
       7.53    7.59
   
        682.76656848 
        682.78817651 
        682.77377115 
   
  
  
       5.81    5.86
       6.39    6.45
   
        695.60561785 
        695.61505310 
        695.60876293 
   
  
  
       6.43    6.49
       7.01    7.08
   
        704.04487795 
        704.06060554 
        704.05012048 
   
  
  
       7.54    7.60
       8.13    8.19
   
        701.90164429 
        701.92512205 
        701.90947021 
   
  
  
       7.30    7.37
       7.91    7.98
   
        703.81172309 
        703.83622124 
        703.81988914 
   
  
  
       6.82    6.88
       7.42    7.49
   
        703.89953947 
        703.92333232 
        703.90747042 
   
  
  
       6.40    6.46
       6.99    7.05
   
        702.13880811 
        702.16006208 
        702.14589277 
   
  
  
       7.26    7.33
       7.86    7.93
   
        702.43525131 
        702.45656018 
        702.44235427 
   
  
  
       6.95    7.00
       7.56    7.62
   
        706.01936970 
        706.04044696 
        706.02639545 
   
  
  
       7.05    7.11
       7.65    7.72
   
        709.52854467 
        709.53406205 
        709.53038380 
   
  
  
       6.55    6.60
       7.15    7.21
   
        708.86067548 
        708.87647590 
        708.86594229 
   
  
  
       7.22    7.28
       7.83    7.89
   
        709.17832010 
        709.19435591 
        709.18366537 
   
  
  
       7.44    7.49
       8.04    8.10
   
        709.33841289 
        709.35417791 
        709.34366789 
   
  
  
       6.22    6.28
       6.82    6.89
   
        711.25612592 
        711.27025632 
        711.26083606 
   
  
  
       6.44    6.50
       7.06    7.13
   
        709.89355907 
        709.90925618 
        709.89879144 
   
  
  
       6.34    6.40
       6.97    7.04
   
        710.49833289 
        710.50708022 
        710.50124867 
   
  
  
       5.94    6.00
       6.56    6.62
   
        712.23978611 
        712.25466156 
        712.24474459 
   
  
  
       6.18    6.23
       6.79    6.85
   
        711.44036625 
        711.45584085 
        711.44552445 
   
  
  
       6.06    6.14
       6.73    6.82
   
        712.53679040 
        712.55235697 
        712.54197926 
   
  
  
       6.00    6.06
       6.64    6.71
   
        711.31432046 
        711.32766243 
        711.31876778 
   
  
  
       6.51    6.56
       7.13    7.19
   
        689.84062556 
        689.84997650 
        689.84374254 
   
  
  
       7.12    7.18
       7.74    7.80
   
        688.59925585 
        688.60996527 
        688.60282565 
   
  
  
       6.85    6.92
       7.47    7.54
   
        697.44785548 
        697.45840306 
        697.45137134 
   
  
  
       6.52    6.59
       7.15    7.22
   
        711.49744515 
        711.51864502 
        711.50451178 
   
  
  
       7.08    7.14
       7.70    7.76
   
        717.85891742 
        717.88027580 
        717.86603688 
   
  
  
       7.21    7.26
       7.85    7.91
   
        716.97771259 
        716.99264614 
        716.98269044 
   
  
  
       7.04    7.09
       7.73    7.79
   
        718.52710549 
        718.54920286 
        718.53447128 
   
  
  
       6.83    6.89
       7.46    7.52
   
        719.35738447 
        719.32222662 
        719.34566519 
   
  
  
       6.14    6.20
       6.79    6.85
   
        718.51672983 
        718.49262450 
        718.50869472 
   
  
  
       6.36    6.42
       6.98    7.04
   
        713.71745483 
        713.74848141 
        713.72779702 
   
  
  
       6.52    6.59
       7.14    7.20
   
        707.42888469 
        707.44275837 
        707.43350925 
   
  
  
       6.44    6.49
       7.06    7.12
   
        707.66357238 
        707.67317131 
        707.66677202 
   
  
  
       6.40    6.45
       7.02    7.07
   
        707.05744841 
        707.06487019 
        707.05992234 
   
  
  
       7.30    7.36
       7.92    7.98
   
        705.85543504 
        705.85826610 
        705.85637873 
   
  
  
       6.78    6.84
       7.40    7.47
   
        705.33524298 
        705.37689102 
        705.34912566 
   
  
  
       6.30    6.37
       6.91    6.98
   
        703.60582046 
        703.62560442 
        703.61241511 
   
  
  
       6.89    6.95
       7.51    7.58
   
        702.85994524 
        702.86495516 
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       6.22    6.27
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        703.20847053 
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       6.21    6.28
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        703.66069146 
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       7.08    7.15
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        705.58626843 
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       6.72    6.78
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        696.45559835 
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       7.03    7.10
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        692.99253411 
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       5.94    6.01
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        696.30760366 
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       6.81    6.88
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        700.09210002 
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       6.35    6.41
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        700.86060297 
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       6.92    6.98
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        705.62340202 
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       6.66    6.72
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        706.31800732 
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       5.81    5.87
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        707.21458789 
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       5.49    5.55
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        717.20028921 
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       6.72    6.78
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        717.20567463 
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       6.36    6.42
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        727.19443403 
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       6.07    6.13
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        727.98108836 
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       6.60    6.66
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        728.78074459 
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       5.22    5.28
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        730.63892151 
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       5.05    5.10
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        730.50745781 
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       4.63    4.68
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       4.67    4.72
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        726.24537483 
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       4.56    4.62
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       5.48    5.54
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       4.62    4.67
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       4.82    4.87
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       4.48    4.53
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       4.84    4.89
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       4.66    4.72
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       4.60    4.65
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       4.78    4.83
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       4.94    4.99
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       4.81    4.88
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       4.77    4.82
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        717.89001536 
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       5.36    5.41
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       4.57    4.63
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        717.91003134 
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       4.81    4.86
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        717.23062587 
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       4.56    4.62
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        717.18717807 
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       4.61    4.68
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       4.84    4.90
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       4.28    4.33
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       4.74    4.79
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       5.02    5.08
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       4.57    4.62
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       4.48    4.53
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       4.62    4.68
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       4.55    4.61
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       4.78    4.84
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       4.94    4.99
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        729.72823199 
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       4.62    4.67
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       4.42    4.47
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       5.01    5.06
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       4.50    4.56
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       4.79    4.85
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       4.57    4.63
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        722.46105449 
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       4.69    4.75
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       4.84    4.90
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       5.29    5.35
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       4.38    4.44
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       4.41    4.46
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       4.68    4.73
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       4.40    4.46
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       5.36    5.42
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       4.62    4.67
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       4.34    4.40
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        716.31996191 
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       4.67    4.73
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       4.62    4.67
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        729.02443735 
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       4.85    4.91
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       5.00    5.08
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        730.39707238 
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       4.79    4.84
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        712.10854504 
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       4.76    4.81
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        707.40367631 
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       4.35    4.40
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        710.47441436 
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       4.89    4.94
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        714.03577164 
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       5.17    5.23
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        713.90767898 
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       4.71    4.76
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        710.21721798 
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       4.74    4.79
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        710.92680661 
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       4.74    4.79
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        711.63721670 
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       4.37    4.42
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        712.69764895 
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       4.69    4.75
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        713.62427014 
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       4.71    4.77
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        715.89810658 
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       4.59    4.65
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        716.48463224 
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       4.85    4.92
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        717.51755333 
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       4.45    4.52
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        719.38908886 
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       4.95    5.03
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        719.66292629 
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       4.64    4.71
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        724.74369084 
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       4.56    4.61
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        724.69435055 
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       4.54    4.60
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        725.14570370 
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       4.44    4.49
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        725.08597006 
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       4.79    4.85
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        725.37845824 
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