vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:52 
 
 
  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 
    
   
   
           0.12916495       0.12713791       0.38627114 
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           0.30051861       0.08768244       0.60974830 
           0.10154416       0.39458138       0.14993163 
           0.09454000       0.37903548       0.46282253 
           0.35258342       0.36792338       0.22888482 
           0.34764729       0.34053689       0.53644576 
           0.12997026       0.62826237       0.38222927 
           0.38072694       0.62133236       0.30691739 
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           0.62591024       0.17027332       0.38698507 
           0.87058108       0.09598624       0.30845651 
           0.81359008       0.12271931       0.61710876 
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           0.60113380       0.42176311       0.46124089 
           0.84801645       0.34463167       0.22974252 
           0.84056132       0.35398207       0.53648992 
           0.63328894       0.67589915       0.38540107 
           0.87697853       0.60170302       0.30533057 
           0.80665807       0.65019113       0.64964487 
           0.60508733       0.86660930       0.14785608 
           0.59115399       0.92195532       0.46348136 
           0.85811404       0.84738329       0.22669091 
           0.84229159       0.85476022       0.54510743 
           0.96235846       0.38789227       0.65227605 
           0.54253819       0.22259756       0.64595960 
           0.07258678       0.01429472       0.10360877 
           0.08250135       0.02781344       0.43874507 
           0.30247297       0.23983468       0.26867111 
           0.28968427       0.18466552       0.55255849 
           0.15541667       0.26775396       0.10785796 
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           0.41917299       0.48865409       0.26814853 
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           0.44944396       0.37401141       0.48091773 
           0.22371800       0.43458473       0.19466344 
           0.20186204       0.40660400       0.51329798 
           0.26834254       0.06933517       0.35655686 
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           0.89763918       0.22973272       0.65897718 
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           0.07190257       0.52616925       0.43152957 
           0.30932585       0.74123387       0.26849465 
           0.38343631       0.68881720       0.56593273 
           0.16680484       0.76169527       0.10691650 
           0.14504783       0.77736756       0.41238764 
           0.42275738       0.99132540       0.26856221 
           0.37734342       0.94582173       0.59171307 
           0.47760246       0.80848068       0.18585604 
           0.44084367       0.86931911       0.48390044 
           0.23452366       0.93406044       0.19243410 
           0.18842687       0.85966744       0.52000260 
           0.27808637       0.57644791       0.35868434 
           0.02973272       0.64138570       0.32724826 
           0.91468642       0.53679482       0.67954022 
           0.55897593       0.98689340       0.10477746 
           0.57655325       0.07934062       0.44176400 
           0.81844130       0.19399657       0.25675300 
           0.78406588       0.20325046       0.55684531 
           0.65150290       0.23590633       0.10854058 
           0.65982010       0.32377340       0.41047526 
           0.88008812       0.44397055       0.28382228 
           0.92958432       0.42656449       0.58580832 
           0.97612723       0.32840418       0.18615906 
           0.94746665       0.32557761       0.48738943 
           0.71727619       0.40439385       0.19481316 
           0.70754825       0.43564499       0.51467507 
           0.75981312       0.09658603       0.36009289 
           0.66506939       0.10278942       0.64963895 
           0.50926910       0.18504131       0.33818663 
           0.39289414       0.15699686       0.66119024 
           0.55520834       0.48808645       0.10598475 
           0.58887716       0.57811106       0.43833390 
           0.82716601       0.69477521       0.25169405 
           0.83925619       0.71691894       0.58527975 
           0.65561879       0.73495401       0.10777673 
           0.64945182       0.82980899       0.41119644 
           0.89057650       0.94369829       0.28183871 
           0.88641593       0.97908116       0.59401109 
           0.98611498       0.83370631       0.18313168 
           0.93766264       0.82768574       0.48627321 
           0.72778309       0.90862314       0.19189884 
           0.69430343       0.90597781       0.51941259 
           0.77722883       0.62111113       0.36004254 
           0.66454461       0.56329536       0.64280506 
           0.52119443       0.68053174       0.33448199 
           0.43025073       0.58067922       0.67680767 
           0.57380345       0.35728089       0.68347614 
           0.53087686       0.25309657       0.57584150 
           0.80479926       0.77296330       0.69716436 
           0.11894611       0.37268317       0.67592461 
           0.18619276       0.64808038       0.63744119 
           0.10416505       0.11115137       0.10771725 
           0.20073809       0.29690685       0.07299666 
           0.09695325       0.61119053       0.11001221 
           0.21105204       0.78721700       0.07131531 
           0.59336978       0.08302215       0.10849456 
           0.69011324       0.26315516       0.07203753 
           0.59364009       0.58272445       0.10876657 
           0.69560195       0.76088922       0.07136084 
           0.61180770       0.22188356       0.55415559 
           0.08022141       0.01091819       0.62183959 
           0.74748495       0.85240625       0.68996451 
           0.15237349       0.27833270       0.67857303 
           0.13607814       0.60161549       0.66782121 
           0.41802405       0.63848446       0.71142743 
           0.58215310       0.50408708       0.68726255 
           0.59012034       0.55378603       0.74456322 
   
  
  
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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 
   
  
  
          0.12916495       0.12713791       0.38627114 
          0.37483410       0.12103646       0.30740688 
          0.30051861       0.08768244       0.60974830 
          0.10154416       0.39458138       0.14993163 
          0.09454000       0.37903548       0.46282253 
          0.35258342       0.36792338       0.22888482 
          0.34764729       0.34053689       0.53644576 
          0.12997026       0.62826237       0.38222927 
          0.38072694       0.62133236       0.30691739 
          0.33348168       0.58760572       0.61705097 
          0.11463082       0.89309606       0.14683864 
          0.08940211       0.87306759       0.46381927 
          0.36073485       0.86882711       0.22875016 
          0.34747560       0.83928191       0.53966720 
          0.62591024       0.17027332       0.38698507 
          0.87058108       0.09598624       0.30845651 
          0.81359008       0.12271931       0.61710876 
          0.59778074       0.36608369       0.14879369 
          0.60113380       0.42176311       0.46124089 
          0.84801645       0.34463167       0.22974252 
          0.84056132       0.35398207       0.53648992 
          0.63328894       0.67589915       0.38540107 
          0.87697853       0.60170302       0.30533057 
          0.80665807       0.65019113       0.64964487 
          0.60508733       0.86660930       0.14785608 
          0.59115399       0.92195532       0.46348136 
          0.85811404       0.84738329       0.22669091 
          0.84229159       0.85476022       0.54510743 
          0.96235846       0.38789227       0.65227605 
          0.54253819       0.22259756       0.64595960 
          0.07258678       0.01429472       0.10360877 
          0.08250135       0.02781344       0.43874507 
          0.30247297       0.23983468       0.26867111 
          0.28968427       0.18466552       0.55255849 
          0.15541667       0.26775396       0.10785796 
          0.15718641       0.27564757       0.41524611 
          0.41917299       0.48865409       0.26814853 
          0.36085061       0.43398768       0.59509118 
          0.46618474       0.30800080       0.18434844 
          0.44944396       0.37401141       0.48091773 
          0.22371800       0.43458473       0.19466344 
          0.20186204       0.40660400       0.51329798 
          0.26834254       0.06933517       0.35655686 
          0.15220002       0.06493295       0.64031206 
          0.01501609       0.14377613       0.33638892 
          0.89763918       0.22973272       0.65897718 
          0.05179116       0.51941330       0.10997198 
          0.07190257       0.52616925       0.43152957 
          0.30932585       0.74123387       0.26849465 
          0.38343631       0.68881720       0.56593273 
          0.16680484       0.76169527       0.10691650 
          0.14504783       0.77736756       0.41238764 
          0.42275738       0.99132540       0.26856221 
          0.37734342       0.94582173       0.59171307 
          0.47760246       0.80848068       0.18585604 
          0.44084367       0.86931911       0.48390044 
          0.23452366       0.93406044       0.19243410 
          0.18842687       0.85966744       0.52000260 
          0.27808637       0.57644791       0.35868434 
          0.02973272       0.64138570       0.32724826 
          0.91468642       0.53679482       0.67954022 
          0.55897593       0.98689340       0.10477746 
          0.57655325       0.07934062       0.44176400 
          0.81844130       0.19399657       0.25675300 
          0.78406588       0.20325046       0.55684531 
          0.65150290       0.23590633       0.10854058 
          0.65982010       0.32377340       0.41047526 
          0.88008812       0.44397055       0.28382228 
          0.92958432       0.42656449       0.58580832 
          0.97612723       0.32840418       0.18615906 
          0.94746665       0.32557761       0.48738943 
          0.71727619       0.40439385       0.19481316 
          0.70754825       0.43564499       0.51467507 
          0.75981312       0.09658603       0.36009289 
          0.66506939       0.10278942       0.64963895 
          0.50926910       0.18504131       0.33818663 
          0.39289414       0.15699686       0.66119024 
          0.55520834       0.48808645       0.10598475 
          0.58887716       0.57811106       0.43833390 
          0.82716601       0.69477521       0.25169405 
          0.83925619       0.71691894       0.58527975 
          0.65561879       0.73495401       0.10777673 
          0.64945182       0.82980899       0.41119644 
          0.89057650       0.94369829       0.28183871 
          0.88641593       0.97908116       0.59401109 
          0.98611498       0.83370631       0.18313168 
          0.93766264       0.82768574       0.48627321 
          0.72778309       0.90862314       0.19189884 
          0.69430343       0.90597781       0.51941259 
          0.77722883       0.62111113       0.36004254 
          0.66454461       0.56329536       0.64280506 
          0.52119443       0.68053174       0.33448199 
          0.43025073       0.58067922       0.67680767 
          0.57380345       0.35728089       0.68347614 
          0.53087686       0.25309657       0.57584150 
          0.80479926       0.77296330       0.69716436 
          0.11894611       0.37268317       0.67592461 
          0.18619276       0.64808038       0.63744119 
          0.10416505       0.11115137       0.10771725 
          0.20073809       0.29690685       0.07299666 
          0.09695325       0.61119053       0.11001221 
          0.21105204       0.78721700       0.07131531 
          0.59336978       0.08302215       0.10849456 
          0.69011324       0.26315516       0.07203753 
          0.59364009       0.58272445       0.10876657 
          0.69560195       0.76088922       0.07136084 
          0.61180770       0.22188356       0.55415559 
          0.08022141       0.01091819       0.62183959 
          0.74748495       0.85240625       0.68996451 
          0.15237349       0.27833270       0.67857303 
          0.13607814       0.60161549       0.66782121 
          0.41802405       0.63848446       0.71142743 
          0.58215310       0.50408708       0.68726255 
          0.59012034       0.55378603       0.74456322 
  
  
     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 
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     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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     F  F  F 
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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.58   26.59
      27.14   27.15
   
        473.81405041 
      50030.01070909 
     -79845.46667557 
       1709.65619256 
      26821.66247716 
     -26420.54417613 
          0.00874896 
      -1967.82036300 
      33391.18858154 
       4192.50954500 
       4192.50079604 
       4192.50662868 
   
  
  
      29.55   29.55
      29.55   29.55
   
       -410.48760237 
       -410.49102120 
       -410.48874198 
   
  
  
      28.13   28.14
      28.14   28.14
   
       -922.84084313 
       -922.92213789 
       -922.86794138 
   
  
  
      28.55   28.55
      28.55   28.55
   
       -935.19221650 
       -935.28085744 
       -935.22176348 
   
  
  
      28.46   28.46
      28.65   28.65
   
       -935.57995227 
       -935.66805852 
       -935.60932102 
   
  
  
      27.85   27.85
      28.52   28.52
   
       -830.93715472 
       -831.01576861 
       -830.96335935 
   
  
  
      30.52   30.52
      31.21   31.21
   
       -830.50585755 
       -830.59186171 
       -830.53452560 
   
  
  
      30.38   30.39
      31.05   31.05
   
       -830.21556374 
       -830.28328854 
       -830.23813867 
   
  
  
      29.76   29.76
      30.42   30.43
   
       -830.14245294 
       -830.22036739 
       -830.16842442 
   
  
  
      28.62   28.64
      29.34   29.36
   
       -830.15352826 
       -830.22715010 
       -830.17806888 
   
  
  
      32.39   32.40
      33.05   33.07
   
       -830.13333280 
       -830.21983928 
       -830.16216829 
   
  
  
      28.93   28.94
      29.68   29.69
   
       -830.12114461 
       -830.20691768 
       -830.14973564 
   
  
  
      30.18   30.25
      31.06   31.13
   
       -830.11973136 
       -830.21025271 
       -830.14990515 
   
  
  
      28.71   28.77
      29.47   29.53
   
       -830.11649881 
       -830.20721274 
       -830.14673678 
   
  
  
      29.80   29.82
      30.49   30.52
   
       -830.11519891 
       -830.20859132 
       -830.14632971 
   
  
  
      29.38   29.41
      30.10   30.13
   
       -830.11560127 
       -830.21052232 
       -830.14724162 
   
  
  
      28.44   28.46
      29.24   29.27
   
       -830.11658077 
       -830.21365141 
       -830.14893765 
   
  
  
      27.81   27.84
      28.74   28.76
   
       -830.11778703 
       -830.21689278 
       -830.15082228