vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:38 
 
 
  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      0.82000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12975011       0.12693705       0.38586806 
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           0.30098962       0.08824446       0.60949491 
           0.10212932       0.39438052       0.14952855 
           0.09512516       0.37883462       0.46241945 
           0.35316858       0.36772252       0.22848174 
           0.34677965       0.34183761       0.53587401 
           0.13055542       0.62806151       0.38182619 
           0.38131210       0.62113150       0.30651431 
           0.34002570       0.58760940       0.61857735 
           0.11521598       0.89289520       0.14643556 
           0.08998727       0.87286673       0.46341619 
           0.36132001       0.86862625       0.22834708 
           0.34805533       0.83929580       0.53951900 
           0.62649540       0.17007246       0.38658199 
           0.87116624       0.09578538       0.30805343 
           0.81582602       0.12246901       0.61721914 
           0.59836590       0.36588283       0.14839061 
           0.60171896       0.42156225       0.46083781 
           0.84860161       0.34443081       0.22933944 
           0.84182864       0.35387543       0.53629684 
           0.63387410       0.67569829       0.38499799 
           0.87756369       0.60150216       0.30492749 
           0.80848637       0.64919010       0.64839483 
           0.60567249       0.86640844       0.14745300 
           0.59173915       0.92175446       0.46307828 
           0.85869920       0.84718243       0.22628783 
           0.84351654       0.85529255       0.54467243 
           0.96382173       0.38812256       0.65217184 
           0.54389812       0.21947288       0.64519830 
           0.07317194       0.01409386       0.10320569 
           0.08308651       0.02761258       0.43834199 
           0.30305813       0.23963382       0.26826803 
           0.28967723       0.18604687       0.55262847 
           0.15600183       0.26755310       0.10745488 
           0.15777157       0.27544671       0.41484303 
           0.41975815       0.48845323       0.26774545 
           0.36296167       0.43407476       0.59373561 
           0.46676990       0.30779994       0.18394536 
           0.45002912       0.37381055       0.48051465 
           0.22430316       0.43438387       0.19426036 
           0.20160353       0.40764253       0.51282856 
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           0.15312162       0.06523264       0.64027656 
           0.01560125       0.14357527       0.33598584 
           0.89939340       0.22970503       0.65896956 
           0.05237632       0.51921244       0.10956890 
           0.07248773       0.52596839       0.43112649 
           0.30991101       0.74103301       0.26809157 
           0.38343114       0.68977893       0.56620456 
           0.16739000       0.76149441       0.10651342 
           0.14563299       0.77716670       0.41198456 
           0.42334254       0.99112454       0.26815913 
           0.37835050       0.94732353       0.59105378 
           0.47818762       0.80827982       0.18545296 
           0.44142883       0.86911825       0.48349736 
           0.23510882       0.93385958       0.19203102 
           0.18886101       0.85977555       0.51965373 
           0.27867153       0.57624705       0.35828126 
           0.03031788       0.64118484       0.32684518 
           0.91237692       0.53566528       0.67958832 
           0.55956109       0.98669254       0.10437438 
           0.57713841       0.07913976       0.44136092 
           0.81902646       0.19379571       0.25634992 
           0.78590164       0.20316946       0.55702089 
           0.65208806       0.23570547       0.10813750 
           0.66040526       0.32357254       0.41007218 
           0.88067328       0.44376969       0.28341920 
           0.93093362       0.42662035       0.58562883 
           0.97671239       0.32820332       0.18575598 
           0.94805181       0.32537675       0.48698635 
           0.71786135       0.40419299       0.19441008 
           0.70821520       0.43490261       0.51445709 
           0.76039828       0.09638517       0.35968981 
           0.66741883       0.10224825       0.65013205 
           0.50985426       0.18484045       0.33778355 
           0.39416507       0.15688428       0.66115987 
           0.55579350       0.48788559       0.10558167 
           0.58946232       0.57791020       0.43793082 
           0.82775117       0.69457435       0.25129097 
           0.84263366       0.71735983       0.58493898 
           0.65620395       0.73475315       0.10737365 
           0.65003698       0.82960813       0.41079336 
           0.89116166       0.94349743       0.28143563 
           0.88768282       0.97879804       0.59379269 
           0.98670014       0.83350545       0.18272860 
           0.93824780       0.82748488       0.48587013 
           0.72836825       0.90842228       0.19149576 
           0.69504793       0.90561094       0.51916612 
           0.77781399       0.62091027       0.35963946 
           0.66812562       0.56069372       0.63869162 
           0.52177959       0.68033088       0.33407891 
           0.44419725       0.57571953       0.67404004 
           0.57586607       0.35950712       0.68149339 
           0.53301831       0.25020700       0.57551098 
           0.79555347       0.76839813       0.69688799 
           0.11976867       0.37342868       0.67629662 
           0.19175581       0.64546082       0.64024911 
           0.10475021       0.11095051       0.10731417 
           0.20132325       0.29670599       0.07259358 
           0.09753841       0.61098967       0.10960913 
           0.21163720       0.78701614       0.07091223 
           0.59395494       0.08282129       0.10809148 
           0.69069840       0.26295430       0.07163445 
           0.59422525       0.58252359       0.10836349 
           0.69618711       0.76068836       0.07095776 
           0.61425496       0.22012253       0.55381081 
           0.08179500       0.01000259       0.62199076 
           0.73397194       0.84491602       0.69047344 
           0.15286759       0.27925026       0.67978832 
           0.14881349       0.59893397       0.67252835 
           0.43824884       0.62493526       0.73567196 
           0.56540183       0.49882880       0.66880446 
           0.49519755       0.61095757       0.76885191 
   
  
  
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         114 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       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 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      336
       -1
       -1
       552.00000000
        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
     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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.82000000      0.72000000
      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     10.81100000     18.99800000
         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
        11.70789335
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       114 
         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
    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
    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
    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
    B    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      30Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      68O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12975011       0.12693705       0.38586806 
          0.37541926       0.12083560       0.30700380 
          0.30098962       0.08824446       0.60949491 
          0.10212932       0.39438052       0.14952855 
          0.09512516       0.37883462       0.46241945 
          0.35316858       0.36772252       0.22848174 
          0.34677965       0.34183761       0.53587401 
          0.13055542       0.62806151       0.38182619 
          0.38131210       0.62113150       0.30651431 
          0.34002570       0.58760940       0.61857735 
          0.11521598       0.89289520       0.14643556 
          0.08998727       0.87286673       0.46341619 
          0.36132001       0.86862625       0.22834708 
          0.34805533       0.83929580       0.53951900 
          0.62649540       0.17007246       0.38658199 
          0.87116624       0.09578538       0.30805343 
          0.81582602       0.12246901       0.61721914 
          0.59836590       0.36588283       0.14839061 
          0.60171896       0.42156225       0.46083781 
          0.84860161       0.34443081       0.22933944 
          0.84182864       0.35387543       0.53629684 
          0.63387410       0.67569829       0.38499799 
          0.87756369       0.60150216       0.30492749 
          0.80848637       0.64919010       0.64839483 
          0.60567249       0.86640844       0.14745300 
          0.59173915       0.92175446       0.46307828 
          0.85869920       0.84718243       0.22628783 
          0.84351654       0.85529255       0.54467243 
          0.96382173       0.38812256       0.65217184 
          0.54389812       0.21947288       0.64519830 
          0.07317194       0.01409386       0.10320569 
          0.08308651       0.02761258       0.43834199 
          0.30305813       0.23963382       0.26826803 
          0.28967723       0.18604687       0.55262847 
          0.15600183       0.26755310       0.10745488 
          0.15777157       0.27544671       0.41484303 
          0.41975815       0.48845323       0.26774545 
          0.36296167       0.43407476       0.59373561 
          0.46676990       0.30779994       0.18394536 
          0.45002912       0.37381055       0.48051465 
          0.22430316       0.43438387       0.19426036 
          0.20160353       0.40764253       0.51282856 
          0.26892770       0.06913431       0.35615378 
          0.15312162       0.06523264       0.64027656 
          0.01560125       0.14357527       0.33598584 
          0.89939340       0.22970503       0.65896956 
          0.05237632       0.51921244       0.10956890 
          0.07248773       0.52596839       0.43112649 
          0.30991101       0.74103301       0.26809157 
          0.38343114       0.68977893       0.56620456 
          0.16739000       0.76149441       0.10651342 
          0.14563299       0.77716670       0.41198456 
          0.42334254       0.99112454       0.26815913 
          0.37835050       0.94732353       0.59105378 
          0.47818762       0.80827982       0.18545296 
          0.44142883       0.86911825       0.48349736 
          0.23510882       0.93385958       0.19203102 
          0.18886101       0.85977555       0.51965373 
          0.27867153       0.57624705       0.35828126 
          0.03031788       0.64118484       0.32684518 
          0.91237692       0.53566528       0.67958832 
          0.55956109       0.98669254       0.10437438 
          0.57713841       0.07913976       0.44136092 
          0.81902646       0.19379571       0.25634992 
          0.78590164       0.20316946       0.55702089 
          0.65208806       0.23570547       0.10813750 
          0.66040526       0.32357254       0.41007218 
          0.88067328       0.44376969       0.28341920 
          0.93093362       0.42662035       0.58562883 
          0.97671239       0.32820332       0.18575598 
          0.94805181       0.32537675       0.48698635 
          0.71786135       0.40419299       0.19441008 
          0.70821520       0.43490261       0.51445709 
          0.76039828       0.09638517       0.35968981 
          0.66741883       0.10224825       0.65013205 
          0.50985426       0.18484045       0.33778355 
          0.39416507       0.15688428       0.66115987 
          0.55579350       0.48788559       0.10558167 
          0.58946232       0.57791020       0.43793082 
          0.82775117       0.69457435       0.25129097 
          0.84263366       0.71735983       0.58493898 
          0.65620395       0.73475315       0.10737365 
          0.65003698       0.82960813       0.41079336 
          0.89116166       0.94349743       0.28143563 
          0.88768282       0.97879804       0.59379269 
          0.98670014       0.83350545       0.18272860 
          0.93824780       0.82748488       0.48587013 
          0.72836825       0.90842228       0.19149576 
          0.69504793       0.90561094       0.51916612 
          0.77781399       0.62091027       0.35963946 
          0.66812562       0.56069372       0.63869162 
          0.52177959       0.68033088       0.33407891 
          0.44419725       0.57571953       0.67404004 
          0.57586607       0.35950712       0.68149339 
          0.53301831       0.25020700       0.57551098 
          0.79555347       0.76839813       0.69688799 
          0.11976867       0.37342868       0.67629662 
          0.19175581       0.64546082       0.64024911 
          0.10475021       0.11095051       0.10731417 
          0.20132325       0.29670599       0.07259358 
          0.09753841       0.61098967       0.10960913 
          0.21163720       0.78701614       0.07091223 
          0.59395494       0.08282129       0.10809148 
          0.69069840       0.26295430       0.07163445 
          0.59422525       0.58252359       0.10836349 
          0.69618711       0.76068836       0.07095776 
          0.61425496       0.22012253       0.55381081 
          0.08179500       0.01000259       0.62199076 
          0.73397194       0.84491602       0.69047344 
          0.15286759       0.27925026       0.67978832 
          0.14881349       0.59893397       0.67252835 
          0.43824884       0.62493526       0.73567196 
          0.56540183       0.49882880       0.66880446 
          0.49519755       0.61095757       0.76885191 
  
  
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
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     T  T  T 
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     F  F  F 
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     T  T  T 
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     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      22.62   22.63
      23.57   23.57
   
        473.81405041 
      49441.72098803 
     -79252.74816723 
       1709.55894698 
      26821.66247716 
     -26420.54417613 
          0.01493865 
      -1963.98498206 
      33391.18858154 
       4200.68265733 
       4200.66771868 
       4200.67767778 
   
  
  
      29.45   29.45
      29.45   29.45
   
       -410.36335297 
       -410.38682973 
       -410.37117855 
   
  
  
      28.35   28.35
      28.35   28.35
   
       -922.55931455 
       -922.68762890 
       -922.60208600 
   
  
  
      28.54   28.55
      28.54   28.55
   
       -934.86878912 
       -935.00480471 
       -934.91412765 
   
  
  
      28.70   28.70
      28.88   28.89
   
       -935.25698491 
       -935.39202207 
       -935.30199730 
   
  
  
      28.22   28.23
      29.09   29.10
   
       -830.38941679 
       -830.44478860 
       -830.40787406 
   
  
  
      30.70   30.70
      31.58   31.58
   
       -829.98264897 
       -830.04226312 
       -830.00252035 
   
  
  
      28.75   28.75
      29.59   29.59
   
       -829.69039907 
       -829.76305412 
       -829.71461742 
   
  
  
      32.86   32.87
      33.63   33.64
   
       -829.69689959 
       -829.75196027 
       -829.71525315 
   
  
  
      31.03   31.05
      31.74   31.76
   
       -829.66752019 
       -829.72166424 
       -829.68556820 
   
  
  
      28.40   28.42
      29.09   29.12
   
       -829.65893439 
       -829.72573375 
       -829.68120085 
   
  
  
      31.70   31.71
      32.39   32.41
   
       -829.65462156 
       -829.73189340 
       -829.68037884 
   
  
  
      29.67   29.69
      30.37   30.40
   
       -829.65097202 
       -829.72818853 
       -829.67671086 
   
  
  
      27.85   27.89
      28.60   28.65
   
       -829.65094923 
       -829.72981577 
       -829.67723808 
   
  
  
      30.38   30.40
      31.07   31.10
   
       -829.65256307 
       -829.73300119 
       -829.67937578 
   
  
  
      28.60   28.63
      29.36   29.39
   
       -829.65357540 
       -829.73626781 
       -829.68113953 
   
  
  
      28.26   28.29
      28.96   28.99
   
       -829.65575813 
       -829.74103051 
       -829.68418226 
   
  
  
      30.93   30.95
      31.60   31.62
   
       -829.65943191 
       -829.74895604 
       -829.68927329