vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  21:55:14 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.91645455       0.45636426       0.27148580 
           0.37132498       0.90654907       0.34891796 
           0.81289972       0.49472533       0.31288709 
           0.31028603       0.97127537       0.40361089 
           0.00635044       0.23882474       0.43130394 
           0.25635044       0.23882474       0.31631854 
           0.00635044       0.31174210       0.06192108 
           0.25635044       0.31174210       0.18570140 
           0.00635044       0.38824623       0.43553353 
           0.25635044       0.38824623       0.31208895 
           0.46658545       0.46861876       0.71253953 
           0.47966318       0.53193665       0.81419108 
           0.76246546       0.37702141       0.49940075 
           0.51038783       0.81819142       0.94910447 
           0.25635044       0.23882474       0.81631854 
           0.00635044       0.31174210       0.56192108 
           0.25635044       0.31174210       0.68570140 
           0.00635044       0.38824623       0.93553353 
           0.25635044       0.38824623       0.81208895 
           0.21120792       0.46410104       0.27651627 
           0.79008938       0.75529889       0.47427514 
           0.53730440       0.25022266       0.12382008 
           0.59944430       0.37987448       0.93961559 
           0.50635044       0.23882474       0.43130394 
           0.75635044       0.23882474       0.31631854 
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           0.75635044       0.31174210       0.18570140 
           0.50635044       0.38824623       0.43553353 
           0.75635044       0.38824623       0.31208895 
           0.09328230       0.18567523       0.15284302 
           0.14443840       0.38393348       0.37510670 
           0.25604076       0.43456336       0.51255264 
           0.24071068       0.29335893       0.63794098 
           0.50635044       0.23882474       0.93130394 
           0.75635044       0.23882474       0.81631854 
           0.75635044       0.31174210       0.68570140 
           0.50635044       0.38824623       0.93553353 
           0.75635044       0.38824623       0.81208895 
           0.13426673       0.07253751       0.89750984 
           0.44756340       0.74591958       0.21266929 
           0.15745059       0.30612131       0.45794150 
           0.93266674       0.83916636       0.06774338 
           0.39361687       0.21434231       0.15279759 
           0.46600399       0.94498137       0.41047548 
           0.95240264       0.71890472       0.33111232 
           0.45286049       0.59567659       0.19636642 
           0.49136972       0.55589226       0.83691609 
           0.32711883       0.47980062       0.47091323 
           0.61304491       0.13699173       0.59935813 
           0.17006424       0.95985046       0.45398541 
           0.97732864       0.12924155       0.35709773 
           0.82642742       0.91924019       0.30930787 
           0.43951758       0.18717771       0.05435256 
           0.11681221       0.01746651       0.00127749 
           0.07345799       0.75386054       0.54964046 
           0.16823301       0.19494684       0.14468243 
           0.53250230       0.74967187       0.99065703 
           0.03915711       0.90023494       0.77186225 
           0.89144453       0.55095269       0.85638297 
           0.70071956       0.44653680       0.85800060 
           0.92424036       0.62587207       0.33163822 
           0.39191478       0.17983825       0.00106893 
           0.79668478       0.04758386       0.54248883 
           0.52290120       0.13511039       0.11766721 
           0.04507587       0.29074302       0.15897064 
           0.19065934       0.79801371       0.36079256 
           0.86075325       0.55401669       0.24266490 
           0.24170799       0.13639625       0.38665202 
           0.12976243       0.80685164       0.69317112 
           0.78460470       0.20104996       0.20379744 
           0.28631907       0.17951335       0.41319133 
           0.11689639       0.08714487       0.98453304 
           0.35962909       0.08357146       0.91648787 
           0.65124317       0.12203731       0.90134469 
           0.70255469       0.48028463       0.39943220 
   
  
  
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          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           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
      126
       54
       80
      252
      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      0.99000000      0.32000000      0.75000000
      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     35.45300000      1.00000000     14.00100000
         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
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         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
    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
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.91645455       0.45636426       0.27148580 
          0.37132498       0.90654907       0.34891796 
          0.81289972       0.49472533       0.31288709 
          0.31028603       0.97127537       0.40361089 
          0.00635044       0.23882474       0.43130394 
          0.25635044       0.23882474       0.31631854 
          0.00635044       0.31174210       0.06192108 
          0.25635044       0.31174210       0.18570140 
          0.00635044       0.38824623       0.43553353 
          0.25635044       0.38824623       0.31208895 
          0.46658545       0.46861876       0.71253953 
          0.47966318       0.53193665       0.81419108 
          0.76246546       0.37702141       0.49940075 
          0.51038783       0.81819142       0.94910447 
          0.25635044       0.23882474       0.81631854 
          0.00635044       0.31174210       0.56192108 
          0.25635044       0.31174210       0.68570140 
          0.00635044       0.38824623       0.93553353 
          0.25635044       0.38824623       0.81208895 
          0.21120792       0.46410104       0.27651627 
          0.79008938       0.75529889       0.47427514 
          0.53730440       0.25022266       0.12382008 
          0.59944430       0.37987448       0.93961559 
          0.50635044       0.23882474       0.43130394 
          0.75635044       0.23882474       0.31631854 
          0.50635044       0.31174210       0.06192108 
          0.75635044       0.31174210       0.18570140 
          0.50635044       0.38824623       0.43553353 
          0.75635044       0.38824623       0.31208895 
          0.09328230       0.18567523       0.15284302 
          0.14443840       0.38393348       0.37510670 
          0.25604076       0.43456336       0.51255264 
          0.24071068       0.29335893       0.63794098 
          0.50635044       0.23882474       0.93130394 
          0.75635044       0.23882474       0.81631854 
          0.75635044       0.31174210       0.68570140 
          0.50635044       0.38824623       0.93553353 
          0.75635044       0.38824623       0.81208895 
          0.13426673       0.07253751       0.89750984 
          0.44756340       0.74591958       0.21266929 
          0.15745059       0.30612131       0.45794150 
          0.93266674       0.83916636       0.06774338 
          0.39361687       0.21434231       0.15279759 
          0.46600399       0.94498137       0.41047548 
          0.95240264       0.71890472       0.33111232 
          0.45286049       0.59567659       0.19636642 
          0.49136972       0.55589226       0.83691609 
          0.32711883       0.47980062       0.47091323 
          0.61304491       0.13699173       0.59935813 
          0.17006424       0.95985046       0.45398541 
          0.97732864       0.12924155       0.35709773 
          0.82642742       0.91924019       0.30930787 
          0.43951758       0.18717771       0.05435256 
          0.11681221       0.01746651       0.00127749 
          0.07345799       0.75386054       0.54964046 
          0.16823301       0.19494684       0.14468243 
          0.53250230       0.74967187       0.99065703 
          0.03915711       0.90023494       0.77186225 
          0.89144453       0.55095269       0.85638297 
          0.70071956       0.44653680       0.85800060 
          0.92424036       0.62587207       0.33163822 
          0.39191478       0.17983825       0.00106893 
          0.79668478       0.04758386       0.54248883 
          0.52290120       0.13511039       0.11766721 
          0.04507587       0.29074302       0.15897064 
          0.19065934       0.79801371       0.36079256 
          0.86075325       0.55401669       0.24266490 
          0.24170799       0.13639625       0.38665202 
          0.12976243       0.80685164       0.69317112 
          0.78460470       0.20104996       0.20379744 
          0.28631907       0.17951335       0.41319133 
          0.11689639       0.08714487       0.98453304 
          0.35962909       0.08357146       0.91648787 
          0.65124317       0.12203731       0.90134469 
          0.70255469       0.48028463       0.39943220 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.44   26.45
      29.82   29.83
   
        123.65170997 
       7575.72029851 
     -17962.95399666 
        164.90452506 
      10239.95902789 
      -9563.30171726 
          0.00364886 
       -508.75484658 
      12674.55391393 
       2743.78256372 
       2743.77891486 
       2743.78134743 
   
  
  
      32.50   32.51
      32.50   32.51
   
        773.39167635 
        773.39748880 
        773.39361384 
   
  
  
      31.21   31.22
      31.21   31.22
   
        420.78344434 
        420.77098051 
        420.77928973 
   
  
  
      35.74   35.75
      35.74   35.75
   
        394.23521743 
        394.22122919 
        394.23055468 
   
  
  
      33.34   33.36
      33.60   33.62
   
        393.45203514 
        393.43579838 
        393.44662289 
   
  
  
      31.90   31.93
      33.55   33.58
   
        411.97906450 
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        411.96934657 
   
  
  
      37.01   37.05
      38.70   38.74
   
       -236.16658157 
       -236.16055155 
       -236.16457156 
   
  
  
      37.81   37.85
      39.23   39.26
   
         33.14896143 
         33.13980316 
         33.14590868 
   
  
  
      29.58   29.63
      31.03   31.08
   
         46.84219953 
         46.86590891 
         46.85010266 
   
  
  
      31.96   31.98
      33.39   33.42
   
         11.11719561 
         11.09893901 
         11.11111008 
   
  
  
      30.16   30.20
      31.47   31.51
   
         56.29637290 
         56.31026137 
         56.30100239 
   
  
  
      31.64   31.69
      32.98   33.04
   
         83.52112078 
         83.53796386 
         83.52673514 
   
  
  
      30.68   30.73
      32.17   32.22
   
        256.91224405 
        256.94270465 
        256.92239758 
   
  
  
      30.58   30.61
      31.93   31.96
   
        259.53231202 
        259.46943097 
        259.51135167 
   
  
  
      32.51   32.55
      33.92   33.96
   
        259.54914247 
        259.58524044 
        259.56117513 
   
  
  
      32.62   32.67
      34.27   34.32
   
        385.96962130 
        386.02139099 
        385.98687786 
   
  
  
      33.97   34.02
      35.64   35.70
   
        445.57957064 
        445.59961055 
        445.58625061 
   
  
  
      33.03   33.09
      34.49   34.55
   
        468.46410577 
        468.41540867 
        468.44787340 
   
  
  
      32.69   32.75
      34.42   34.50
   
        428.10360922 
        428.08219518 
        428.09647121 
   
  
  
      31.16   31.19
      32.68   32.71
   
        407.50765463 
        407.54624484 
        407.52051804 
   
  
  
      31.57   31.62
      32.96   33.00
   
        384.08908081 
        384.09240141 
        384.09018768 
   
  
  
      31.18   31.24
      32.62   32.67
   
        405.95493132 
        405.90609063 
        405.93865109 
   
  
  
      30.94   31.01
      32.34   32.41
   
        418.74054761 
        418.73409006 
        418.73839509 
   
  
  
      28.93   28.98
      30.53   30.59
   
        419.87462182 
        419.87930007 
        419.87618124 
   
  
  
      32.15   32.21
      33.54   33.60
   
        421.96686602 
        422.00141652 
        421.97838285 
   
  
  
      29.20   29.25
      30.63   30.69
   
        420.81512436 
        420.82855861 
        420.81960244 
   
  
  
      31.56   31.61
      33.08   33.13
   
        421.80835771 
        421.78632986 
        421.80101509 
   
  
  
      32.45   32.51
      34.05   34.11
   
        429.17960089 
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        429.19609380 
   
  
  
      29.93   30.00
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        429.87667885 
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        429.87082884 
   
  
  
      29.47   29.53
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        426.07650242 
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        426.06237231 
   
  
  
      30.48   30.53
      32.79   32.84
   
        426.89385556 
        426.85235481 
        426.88002197 
   
  
  
      31.34   31.39
      33.10   33.14
   
        430.68956831 
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        430.68290970 
   
  
  
      27.32   27.37
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        427.51217462 
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      28.73   28.77
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        434.65298666 
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      27.77   27.84
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        468.57157651 
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        468.57622943 
   
  
  
      28.36   28.41
      30.03   30.08
   
        492.47191717 
        492.46952295 
        492.47111910 
   
  
  
      31.42   31.49
      33.23   33.30
   
        493.29350637 
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        493.28889842 
   
  
  
      28.57   28.64
      30.82   30.90
   
        513.85175039 
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        513.86435900 
   
  
  
      31.17   31.23
      33.81   33.87
   
        513.20153141 
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        513.20884441 
   
  
  
      30.64   30.70
      34.26   34.32
   
        511.17872374 
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        511.19048476 
   
  
  
      29.10   29.14
      31.11   31.15
   
        509.19303820 
        509.21907399 
        509.20171680 
   
  
  
      28.55   28.61
      30.39   30.45
   
        503.74475370 
        503.73869826 
        503.74273522