vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 18 
  14:37:56 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.75000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.73386000       0.00000000       0.00000000 
            0.00000000      28.46772000       0.00000000 
            0.00000000       0.00000000      16.40601000 
    
       3612.03511421 
    
            0.12930154       0.00000000       0.00000000 
            0.00000000       0.03512751       0.00000000 
            0.00000000       0.00000000       0.06095327 
    
   
   
           0.99748684       0.36845953       0.26891646 
           0.99748684       0.43637734       0.18558312 
           0.24748684       0.36845953       0.35224979 
           0.24748684       0.43637734       0.10224979 
           0.77088764       0.11870009       0.26521469 
           0.62017992       0.22934196       0.00654239 
           0.26885746       0.58339223       0.86750344 
           0.43537873       0.21574667       0.02789990 
           0.84684319       0.25136429       0.38101792 
           0.08173478       0.90175221       0.73445706 
           0.10341265       0.20367928       0.28853433 
           0.91488145       0.60718848       0.70684672 
           0.99748684       0.50429514       0.26891646 
           0.99748684       0.30054173       0.18558312 
           0.24748684       0.50429514       0.35224979 
           0.24748684       0.30054173       0.10224979 
           0.99748684       0.36845953       0.60224979 
           0.99748684       0.43637734       0.51891646 
           0.24748684       0.36845953       0.68558312 
           0.24748684       0.43637734       0.43558312 
           0.47089829       0.45412129       0.66826889 
           0.23327416       0.18131215       0.31326669 
           0.92369097       0.31163718       0.36050685 
           0.52339607       0.17861178       0.35405904 
           0.72416424       0.20494218       0.67952372 
           0.99322978       0.35687671       0.09344399 
           0.90624999       0.23904121       0.51118824 
           0.90782143       0.49562711       0.07437869 
           0.99748684       0.50429514       0.60224979 
           0.99748684       0.30054173       0.51891646 
           0.24748684       0.50429514       0.68558312 
           0.24748684       0.30054173       0.43558312 
           0.99748684       0.36845953       0.93558312 
           0.99748684       0.43637734       0.85224979 
           0.24748684       0.36845953       0.01891646 
           0.24748684       0.43637734       0.76891646 
           0.80997788       0.77222154       0.34783179 
           0.25987950       0.16674030       0.66311915 
           0.92792734       0.60139794       0.18981773 
           0.60469530       0.17622304       0.75107770 
           0.92497890       0.21676328       0.00004418 
           0.29649339       0.61331775       0.43834047 
           0.26933971       0.25664330       0.91466701 
           0.61796802       0.74715820       0.92344887 
           0.99748684       0.50429514       0.93558312 
           0.99748684       0.30054173       0.85224979 
           0.24748684       0.50429514       0.01891646 
           0.24748684       0.30054173       0.76891646 
           0.49748684       0.36845953       0.26891646 
           0.49748684       0.43637734       0.18558312 
           0.74748684       0.36845953       0.35224979 
           0.74748684       0.43637734       0.10224979 
           0.88909535       0.79031296       0.72614084 
           0.10892856       0.22018547       0.00987773 
           0.39481019       0.40779816       0.16662776 
           0.94734662       0.21073621       0.03805973 
           0.33689137       0.24411789       0.36564573 
           0.28956712       0.73528224       0.44996192 
           0.57513372       0.20388461       0.28961933 
           0.62617675       0.59891352       0.75255475 
           0.49748684       0.50429514       0.26891646 
           0.49748684       0.30054173       0.18558312 
           0.74748684       0.50429514       0.35224979 
           0.74748684       0.30054173       0.10224979 
           0.49748684       0.36845953       0.60224979 
           0.49748684       0.43637734       0.51891646 
           0.74748684       0.36845953       0.68558312 
           0.74748684       0.43637734       0.43558312 
           0.21007007       0.32036822       0.03117972 
           0.72751475       0.20563493       0.24558975 
           0.79695529       0.48698468       0.49070169 
           0.94569141       0.19268640       0.34376633 
           0.24263473       0.22708045       0.74133830 
           0.71791414       0.51516161       0.93102005 
           0.48223924       0.23702929       0.52502118 
           0.35115672       0.49249668       0.11273923 
           0.49748684       0.50429514       0.60224979 
           0.49748684       0.30054173       0.51891646 
           0.74748684       0.50429514       0.68558312 
           0.74748684       0.30054173       0.43558312 
           0.49748684       0.36845953       0.93558312 
           0.49748684       0.43637734       0.85224979 
           0.74748684       0.36845953       0.01891646 
           0.74748684       0.43637734       0.76891646 
           0.13167578       0.93011945       0.09931907 
           0.78299174       0.17482370       0.65500945 
           0.26223047       0.59793602       0.93092001 
           0.07731195       0.14928068       0.73463940 
           0.45124748       0.21298386       0.00626239 
           0.45395519       0.61565118       0.89665035 
           0.75634364       0.26180973       0.90822705 
           0.86328345       0.18057244       0.67090481 
           0.49748684       0.50429514       0.93558312 
           0.49748684       0.30054173       0.85224979 
           0.74748684       0.50429514       0.01891646 
           0.74748684       0.30054173       0.76891646 
           0.72238681       0.61479341       0.51968847 
           0.17986124       0.24496570       0.25675270 
           0.35240433       0.26183755       0.61681977 
           0.12069125       0.22393128       0.72009807 
           0.40116235       0.27109339       0.92941468 
           0.19131017       0.23878154       0.02415920 
           0.34050421       0.29145025       0.28037132 
           0.67354098       0.23352025       0.26848981 
           0.84122063       0.26295252       0.61113566 
           0.65689214       0.22800236       0.71562243 
           0.91893215       0.28994601       0.93624392 
           0.70018571       0.23546319       0.02320554 
           0.83110457       0.23491833       0.30489231 
           0.03839898       0.16192366       0.07826440 
           0.25232657       0.11903297       0.09394919 
           0.37264639       0.75811361       0.93837068 
           0.54547199       0.34569720       0.40274002 
           0.81600229       0.75807217       0.45916793 
           0.82137602       0.68954721       0.63166548 
           0.57781376       0.83988379       0.62362125 
           0.11269607       0.62765637       0.10513360 
           0.40742534       0.12122377       0.98044413 
           0.85621504       0.57159979       0.42679612 
           0.64783255       0.62285485       0.52285002 
           0.68630151       0.68691309       0.23364694 
           0.07545408       0.22975018       0.14014432 
           0.37040840       0.28752615       0.75532786 
           0.95538655       0.17250867       0.50210488 
           0.33351952       0.23391935       0.08413448 
           0.14272374       0.20219951       0.84310414 
           0.22993170       0.24370352       0.44291905 
           0.58433721       0.22160973       0.14212816 
           0.88307775       0.28645182       0.75395086 
           0.47307551       0.17495033       0.47714045 
           0.82055138       0.24481645       0.08151567 
           0.64065271       0.19712060       0.84287353 
           0.71752620       0.21722068       0.42776621 
           0.75992958       0.97210754       0.88673930 
           0.44095215       0.96460318       0.32735988 
           0.99445412       0.78350973       0.15651408 
           0.47357056       0.13274735       0.40750025 
           0.42548523       0.63598831       0.28488350 
           0.55211963       0.97023800       0.11053212 
           0.99017672       0.85458708       0.58487694 
           0.22787447       0.31815456       0.11496114 
           0.83156457       0.66027591       0.89586278 
           0.97087320       0.36465696       0.12087264 
           0.58075350       0.06699517       0.24736011 
           0.50795126       0.85077482       0.85643370 
           0.81188314       0.99497399       0.79962175 
           0.91142626       0.84472284       0.83563095 
           0.31965514       0.45003534       0.72253828 
           0.55424140       0.25492552       0.98041157 
           0.94441283       0.27069865       0.86477837 
           0.65063836       0.68880851       0.27780328 
           0.31454912       0.21178968       0.90386205 
           0.62024736       0.79917780       0.24624418 
           0.95279890       0.85915841       0.49839400 
           0.96453887       0.92024431       0.99305041 
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           0.69815961       0.73712869       0.45678265 
           0.57756883       0.26194340       0.30470460 
           0.19364904       0.81312663       0.71211143 
           0.20698758       0.60092558       0.69359444 
           0.00792662       0.18355245       0.75665124 
           0.38867512       0.27947594       0.73216181 
           0.02221225       0.94029674       0.59364536 
           0.94414068       0.73400880       0.35351247 
           0.84721631       0.56330112       0.42406661 
   
  
  
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         165 
  
 
 
  
          2        1        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      381
       -1
       -1
       596.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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
           0.00000001
           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
      140
       80
       80
      280
      160
    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      0.75000000      0.77000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     14.00100000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        13.13467314
         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  
  
 
 
       165 
         5 
  
   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
    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
    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
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    N    4
    N    4
    C    5
    C    5
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      97Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      24O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      38H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           7.73386000       0.00000000       0.00000000 
           0.00000000      28.46772000       0.00000000 
           0.00000000       0.00000000      16.40601000 
   
      3612.03511421 
   
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     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.23    3.23
       3.78    3.79
   
        262.35100947 
      75646.74781752 
     -92554.50942811 
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       3.91    3.92
       3.91    3.92
   
       2090.47872771 
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       2090.49669519 
   
  
  
       4.20    4.21
       4.20    4.21
   
       1352.56994875 
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       4.04    4.05
       4.04    4.05
   
       1304.91907125 
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       4.16    4.17
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       1302.61870290 
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       4.69    4.69
       5.36    5.36
   
        622.78561034 
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       4.83    4.83
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       4.14    4.15
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       4.00    4.01
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       1404.99055812 
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       3.90    3.90
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       3.82    3.83
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       1228.39320180 
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       3.68    3.69
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       3.89    3.90
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        896.77615522 
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       3.53    3.54
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        963.24762090 
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       3.87    3.88
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       3.58    3.59
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       3.64    3.65
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       3.77    3.78
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       4.15    4.16
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       4.28    4.29
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       4.25    4.26
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       3.98    3.98
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       3.94    3.94
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       -152.26888094 
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       3.61    3.61
       4.30    4.31
   
        559.06090154 
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       3.76    3.78
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        738.06591923 
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       3.75    3.76
       4.44    4.46
   
        714.96068769 
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        714.96872030 
   
  
  
       5.03    5.04
       5.73    5.74
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.29    3.31
       3.99    4.01
   
       1569.06769580 
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       4.00    4.01
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       1164.88157158 
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       3.50    3.51
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       1429.64334614 
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       4.52    4.53
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        866.74465424 
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       4.24    4.25
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        725.32402997 
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       3.81    3.82
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        704.07034399 
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       3.75    3.75
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       3.81    3.81
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        894.68423992 
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       3.82    3.83
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        882.25293392 
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       3.77    3.78
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      -2472.34483949 
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       3.23    3.24
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       1119.47548095 
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       3.38    3.39
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        923.18882457 
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       3.86    3.87
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       1185.25559989 
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       3.21    3.22
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       1362.37472933 
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       3.42    3.42
       4.16    4.18
   
       1557.87718382 
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       3.97    3.97
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      -3284.23377071 
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       3.51    3.52
       4.27    4.28
   
      -2028.18947649 
      -2028.23283157 
      -2028.20392818 
   
  
  
       4.21    4.22
       4.96    4.97
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.64    3.65
       4.37    4.38
   
    **************** 
    **************** 
    ****************