vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:40 
 
 
  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 
    
   
   
           0.12965258       0.12697053       0.38593524 
           0.37532173       0.12086908       0.30707098 
           0.30081990       0.08812045       0.60948680 
           0.10203179       0.39441400       0.14959573 
           0.09502763       0.37886810       0.46248663 
           0.35307105       0.36775600       0.22854892 
           0.34660350       0.34156266       0.53595690 
           0.13045789       0.62809499       0.38189337 
           0.38121457       0.62116498       0.30658149 
           0.33871895       0.58752521       0.61826119 
           0.11511845       0.89292868       0.14650274 
           0.08988974       0.87290021       0.46348337 
           0.36122248       0.86865973       0.22841426 
           0.34794008       0.83928174       0.53957593 
           0.62639787       0.17010594       0.38664917 
           0.87106871       0.09581886       0.30812061 
           0.81539242       0.12254367       0.61719115 
           0.59826837       0.36591631       0.14845779 
           0.60162143       0.42159573       0.46090499 
           0.84850408       0.34446429       0.22940662 
           0.84164841       0.35386349       0.53629320 
           0.63377657       0.67573177       0.38506517 
           0.87746616       0.60153564       0.30499467 
           0.80867796       0.64966149       0.64867008 
           0.60557496       0.86644192       0.14752018 
           0.59164162       0.92178794       0.46314546 
           0.85860167       0.84721591       0.22635501 
           0.84329906       0.85524665       0.54472281 
           0.96362693       0.38801022       0.65217494 
           0.54351494       0.21987821       0.64531358 
           0.07307441       0.01412734       0.10327287 
           0.08298898       0.02764606       0.43840917 
           0.30296060       0.23966730       0.26833521 
           0.28973716       0.18572977       0.55264784 
           0.15590430       0.26758658       0.10752206 
           0.15767404       0.27548019       0.41491021 
           0.41966062       0.48848671       0.26781263 
           0.36257246       0.43382929       0.59396101 
           0.46667237       0.30783342       0.18401254 
           0.44993159       0.37384403       0.48058183 
           0.22420563       0.43441735       0.19432754 
           0.20161008       0.40744841       0.51287980 
           0.26883017       0.06916779       0.35622096 
           0.15296557       0.06518169       0.64029973 
           0.01550372       0.14360875       0.33605302 
           0.89895724       0.22971658       0.65897506 
           0.05227879       0.51924592       0.10963608 
           0.07239020       0.52600187       0.43119367 
           0.30981348       0.74106649       0.26815875 
           0.38344261       0.68962370       0.56610309 
           0.16729247       0.76152789       0.10658060 
           0.14553546       0.77720018       0.41205174 
           0.42324501       0.99115802       0.26822631 
           0.37815235       0.94699873       0.59121385 
           0.47809009       0.80831330       0.18552014 
           0.44133130       0.86915173       0.48356454 
           0.23501129       0.93389306       0.19209820 
           0.18873513       0.85975489       0.51972564 
           0.27857400       0.57628053       0.35834844 
           0.03022035       0.64121832       0.32691236 
           0.91269502       0.53588190       0.67956629 
           0.55946356       0.98672602       0.10444156 
           0.57704088       0.07917324       0.44142810 
           0.81892893       0.19382919       0.25641710 
           0.78550968       0.20319708       0.55699021 
           0.65199053       0.23573895       0.10820468 
           0.66030773       0.32360602       0.41013936 
           0.88057575       0.44380317       0.28348638 
           0.93053930       0.42664018       0.58567309 
           0.97661486       0.32823680       0.18582316 
           0.94795428       0.32541023       0.48705353 
           0.71776382       0.40422647       0.19447726 
           0.70809282       0.43508497       0.51453909 
           0.76030075       0.09641865       0.35975699 
           0.66692673       0.10245836       0.65005625 
           0.50975673       0.18487393       0.33785073 
           0.39391470       0.15697159       0.66119600 
           0.55569597       0.48791907       0.10564885 
           0.58936479       0.57794368       0.43799800 
           0.82765364       0.69460783       0.25135815 
           0.84181525       0.71720093       0.58501057 
           0.65610642       0.73478663       0.10744083 
           0.64993945       0.82964161       0.41086054 
           0.89106413       0.94353091       0.28150281 
           0.88737128       0.97880275       0.59384482 
           0.98660261       0.83353893       0.18279578 
           0.93815027       0.82751836       0.48593731 
           0.72827072       0.90845576       0.19156294 
           0.69490628       0.90567136       0.51923442 
           0.77771646       0.62094375       0.35970664 
           0.66720941       0.56135235       0.63992311 
           0.52168206       0.68036436       0.33414609 
           0.44097953       0.57722211       0.67469670 
           0.57558490       0.35953149       0.68213944 
           0.53274550       0.25091133       0.57565196 
           0.79747216       0.76935739       0.69693496 
           0.11957747       0.37326981       0.67622225 
           0.19058263       0.64604046       0.63963777 
           0.10465268       0.11098399       0.10738135 
           0.20122572       0.29673947       0.07266076 
           0.09744088       0.61102315       0.10967631 
           0.21153967       0.78704962       0.07097941 
           0.59385741       0.08285477       0.10815866 
           0.69060087       0.26298778       0.07170163 
           0.59412772       0.58255707       0.10843067 
           0.69608958       0.76072184       0.07102494 
           0.61374319       0.22051180       0.55389166 
           0.08149710       0.01019992       0.62195848 
           0.73681520       0.84650719       0.69039407 
           0.15276221       0.27907457       0.67952968 
           0.14612691       0.59947409       0.67154606 
           0.44114148       0.62371228       0.73128896 
           0.56616888       0.49988061       0.67155262 
           0.51083614       0.60204498       0.76344244 
   
  
  
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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 
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          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
         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  
  
 
 
       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 
   
  
  
          0.12965258       0.12697053       0.38593524 
          0.37532173       0.12086908       0.30707098 
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          0.10203179       0.39441400       0.14959573 
          0.09502763       0.37886810       0.46248663 
          0.35307105       0.36775600       0.22854892 
          0.34660350       0.34156266       0.53595690 
          0.13045789       0.62809499       0.38189337 
          0.38121457       0.62116498       0.30658149 
          0.33871895       0.58752521       0.61826119 
          0.11511845       0.89292868       0.14650274 
          0.08988974       0.87290021       0.46348337 
          0.36122248       0.86865973       0.22841426 
          0.34794008       0.83928174       0.53957593 
          0.62639787       0.17010594       0.38664917 
          0.87106871       0.09581886       0.30812061 
          0.81539242       0.12254367       0.61719115 
          0.59826837       0.36591631       0.14845779 
          0.60162143       0.42159573       0.46090499 
          0.84850408       0.34446429       0.22940662 
          0.84164841       0.35386349       0.53629320 
          0.63377657       0.67573177       0.38506517 
          0.87746616       0.60153564       0.30499467 
          0.80867796       0.64966149       0.64867008 
          0.60557496       0.86644192       0.14752018 
          0.59164162       0.92178794       0.46314546 
          0.85860167       0.84721591       0.22635501 
          0.84329906       0.85524665       0.54472281 
          0.96362693       0.38801022       0.65217494 
          0.54351494       0.21987821       0.64531358 
          0.07307441       0.01412734       0.10327287 
          0.08298898       0.02764606       0.43840917 
          0.30296060       0.23966730       0.26833521 
          0.28973716       0.18572977       0.55264784 
          0.15590430       0.26758658       0.10752206 
          0.15767404       0.27548019       0.41491021 
          0.41966062       0.48848671       0.26781263 
          0.36257246       0.43382929       0.59396101 
          0.46667237       0.30783342       0.18401254 
          0.44993159       0.37384403       0.48058183 
          0.22420563       0.43441735       0.19432754 
          0.20161008       0.40744841       0.51287980 
          0.26883017       0.06916779       0.35622096 
          0.15296557       0.06518169       0.64029973 
          0.01550372       0.14360875       0.33605302 
          0.89895724       0.22971658       0.65897506 
          0.05227879       0.51924592       0.10963608 
          0.07239020       0.52600187       0.43119367 
          0.30981348       0.74106649       0.26815875 
          0.38344261       0.68962370       0.56610309 
          0.16729247       0.76152789       0.10658060 
          0.14553546       0.77720018       0.41205174 
          0.42324501       0.99115802       0.26822631 
          0.37815235       0.94699873       0.59121385 
          0.47809009       0.80831330       0.18552014 
          0.44133130       0.86915173       0.48356454 
          0.23501129       0.93389306       0.19209820 
          0.18873513       0.85975489       0.51972564 
          0.27857400       0.57628053       0.35834844 
          0.03022035       0.64121832       0.32691236 
          0.91269502       0.53588190       0.67956629 
          0.55946356       0.98672602       0.10444156 
          0.57704088       0.07917324       0.44142810 
          0.81892893       0.19382919       0.25641710 
          0.78550968       0.20319708       0.55699021 
          0.65199053       0.23573895       0.10820468 
          0.66030773       0.32360602       0.41013936 
          0.88057575       0.44380317       0.28348638 
          0.93053930       0.42664018       0.58567309 
          0.97661486       0.32823680       0.18582316 
          0.94795428       0.32541023       0.48705353 
          0.71776382       0.40422647       0.19447726 
          0.70809282       0.43508497       0.51453909 
          0.76030075       0.09641865       0.35975699 
          0.66692673       0.10245836       0.65005625 
          0.50975673       0.18487393       0.33785073 
          0.39391470       0.15697159       0.66119600 
          0.55569597       0.48791907       0.10564885 
          0.58936479       0.57794368       0.43799800 
          0.82765364       0.69460783       0.25135815 
          0.84181525       0.71720093       0.58501057 
          0.65610642       0.73478663       0.10744083 
          0.64993945       0.82964161       0.41086054 
          0.89106413       0.94353091       0.28150281 
          0.88737128       0.97880275       0.59384482 
          0.98660261       0.83353893       0.18279578 
          0.93815027       0.82751836       0.48593731 
          0.72827072       0.90845576       0.19156294 
          0.69490628       0.90567136       0.51923442 
          0.77771646       0.62094375       0.35970664 
          0.66720941       0.56135235       0.63992311 
          0.52168206       0.68036436       0.33414609 
          0.44097953       0.57722211       0.67469670 
          0.57558490       0.35953149       0.68213944 
          0.53274550       0.25091133       0.57565196 
          0.79747216       0.76935739       0.69693496 
          0.11957747       0.37326981       0.67622225 
          0.19058263       0.64604046       0.63963777 
          0.10465268       0.11098399       0.10738135 
          0.20122572       0.29673947       0.07266076 
          0.09744088       0.61102315       0.10967631 
          0.21153967       0.78704962       0.07097941 
          0.59385741       0.08285477       0.10815866 
          0.69060087       0.26298778       0.07170163 
          0.59412772       0.58255707       0.10843067 
          0.69608958       0.76072184       0.07102494 
          0.61374319       0.22051180       0.55389166 
          0.08149710       0.01019992       0.62195848 
          0.73681520       0.84650719       0.69039407 
          0.15276221       0.27907457       0.67952968 
          0.14612691       0.59947409       0.67154606 
          0.44114148       0.62371228       0.73128896 
          0.56616888       0.49988061       0.67155262 
          0.51083614       0.60204498       0.76344244 
  
  
     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 
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     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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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      22.73   22.73
      23.40   23.40
   
        473.81405041 
      49547.38227647 
     -79362.29047496 
       1709.51156996 
      26821.66247716 
     -26420.54417613 
          0.02843481 
      -1959.59903994 
      33391.18858154 
       4201.15369931 
       4201.12526450 
       4201.14422104 
   
  
  
      29.58   29.58
      29.58   29.58
   
       -409.90707562 
       -409.91591008 
       -409.91002044 
   
  
  
      28.25   28.25
      28.25   28.25
   
       -922.20134533 
       -922.32171637 
       -922.24146901 
   
  
  
      28.48   28.48
      28.48   28.48
   
       -934.50832567 
       -934.63902231 
       -934.55189122 
   
  
  
      28.47   28.47
      28.64   28.64
   
       -934.89143336 
       -935.02144316 
       -934.93476996 
   
  
  
      28.03   28.04
      28.82   28.83
   
       -830.11447751 
       -830.17808264 
       -830.13567922 
   
  
  
      30.59   30.59
      31.48   31.48
   
       -829.70040689 
       -829.76998407 
       -829.72359928 
   
  
  
      28.66   28.66
      29.46   29.46
   
       -829.42690354 
       -829.48602060 
       -829.44660923 
   
  
  
      30.31   30.33
      31.09   31.12
   
       -829.39686013 
       -829.45265797 
       -829.41545941 
   
  
  
      29.19   29.20
      29.95   29.97
   
       -829.39641719 
       -829.45746514 
       -829.41676650 
   
  
  
      30.57   30.59
      31.34   31.36
   
       -829.37926869 
       -829.45485337 
       -829.40446358 
   
  
  
      30.37   30.39
      31.20   31.23
   
       -829.37426300 
       -829.45129992 
       -829.39994197 
   
  
  
      27.65   27.69
      28.31   28.35
   
       -829.37419557 
       -829.45402128 
       -829.40080414 
   
  
  
      30.73   30.75
      31.42   31.44
   
       -829.37448194 
       -829.45819996 
       -829.40238795 
   
  
  
      29.49   29.52
      30.22   30.26
   
       -829.37468913 
       -829.46308323 
       -829.40415383 
   
  
  
      30.04   30.06
      30.75   30.77
   
       -829.37655769 
       -829.47123392 
       -829.40811644 
   
  
  
      29.29   29.32
      29.99   30.01
   
       -829.37650410 
       -829.47345629 
       -829.40882149 
   
  
  
      33.76   33.78
      34.46   34.48
   
       -829.37740543 
       -829.48111193 
       -829.41197427