vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:42 
 
 
  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 
    
   
   
           0.12955506       0.12700400       0.38600242 
           0.37522421       0.12090255       0.30713816 
           0.30071256       0.08806486       0.60948809 
           0.10193427       0.39444747       0.14966291 
           0.09493011       0.37890157       0.46255381 
           0.35297353       0.36778947       0.22861610 
           0.34651255       0.34126212       0.53599225 
           0.13036037       0.62812846       0.38196055 
           0.38111705       0.62119845       0.30664867 
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           0.08979222       0.87293368       0.46355055 
           0.36112496       0.86869320       0.22848144 
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           0.62630035       0.17013941       0.38671635 
           0.87097119       0.09585233       0.30818779 
           0.81509209       0.12258733       0.61716995 
           0.59817085       0.36594978       0.14852497 
           0.60152391       0.42162920       0.46097217 
           0.84840656       0.34449776       0.22947380 
           0.84149797       0.35386634       0.53630768 
           0.63367905       0.67576524       0.38513235 
           0.87736864       0.60156911       0.30506185 
           0.80860743       0.64991126       0.64889190 
           0.60547744       0.86647539       0.14758736 
           0.59154410       0.92182141       0.46321264 
           0.85850415       0.84724938       0.22642219 
           0.84313441       0.85519221       0.54478035 
           0.96341904       0.38793990       0.65218882 
           0.54330560       0.22026231       0.64541366 
           0.07297689       0.01416081       0.10334005 
           0.08289146       0.02767953       0.43847635 
           0.30286308       0.23970077       0.26840239 
           0.28977763       0.18551995       0.55266549 
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           0.15757652       0.27551366       0.41497739 
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           0.36240667       0.43393288       0.59424950 
           0.46657485       0.30786689       0.18407972 
           0.44983407       0.37387750       0.48064901 
           0.22410811       0.43445082       0.19439472 
           0.20167394       0.40733255       0.51294297 
           0.26873265       0.06920126       0.35628814 
           0.15284733       0.06513155       0.64031705 
           0.01540620       0.14364222       0.33612020 
           0.89866540       0.22971834       0.65897527 
           0.05218127       0.51927939       0.10970326 
           0.07229268       0.52603534       0.43126085 
           0.30971596       0.74109996       0.26822593 
           0.38349192       0.68945960       0.56607152 
           0.16719495       0.76156136       0.10664778 
           0.14543794       0.77723365       0.41211892 
           0.42314749       0.99119149       0.26829349 
           0.37801178       0.94671773       0.59132606 
           0.47799257       0.80834677       0.18558732 
           0.44123378       0.86918520       0.48363172 
           0.23491377       0.93392653       0.19216538 
           0.18866541       0.85971958       0.51978533 
           0.27847648       0.57631400       0.35841562 
           0.03012283       0.64125179       0.32697954 
           0.91297303       0.53603959       0.67954718 
           0.55936604       0.98675949       0.10450874 
           0.57694336       0.07920671       0.44149528 
           0.81883141       0.19386266       0.25648428 
           0.78522884       0.20321299       0.55696516 
           0.65189301       0.23577242       0.10827186 
           0.66021021       0.32363949       0.41020654 
           0.88047823       0.44383664       0.28355356 
           0.93028432       0.42664529       0.58570217 
           0.97651734       0.32827027       0.18589034 
           0.94785676       0.32544370       0.48712071 
           0.71766630       0.40425994       0.19454444 
           0.70798855       0.43521304       0.51458795 
           0.76020323       0.09645212       0.35982417 
           0.66659030       0.10258184       0.64999609 
           0.50965921       0.18490740       0.33791791 
           0.39373000       0.15702116       0.66121555 
           0.55559845       0.48795254       0.10571603 
           0.58926727       0.57797715       0.43806518 
           0.82755612       0.69464130       0.25142533 
           0.84125654       0.71711141       0.58506305 
           0.65600890       0.73482010       0.10750801 
           0.64984193       0.82967508       0.41092772 
           0.89096661       0.94356438       0.28156999 
           0.88716146       0.97880676       0.59387735 
           0.98650509       0.83357240       0.18286296 
           0.93805275       0.82755183       0.48600449 
           0.72817320       0.90848923       0.19163012 
           0.69478601       0.90571766       0.51927874 
           0.77761894       0.62097722       0.35977382 
           0.66625133       0.56180536       0.64075734 
           0.52158454       0.68039783       0.33421327 
           0.43765833       0.57969479       0.67605973 
           0.57519884       0.35949290       0.68252409 
           0.53250002       0.25140508       0.57573301 
           0.79886576       0.77008418       0.69697370 
           0.11946804       0.37316836       0.67616752 
           0.18970448       0.64646433       0.63921873 
           0.10455516       0.11101746       0.10744853 
           0.20112820       0.29677294       0.07272794 
           0.09734336       0.61105662       0.10974349 
           0.21144215       0.78708309       0.07104659 
           0.59375989       0.08288824       0.10822584 
           0.69050335       0.26302125       0.07176881 
           0.59403020       0.58259054       0.10849785 
           0.69599206       0.76075531       0.07109212 
           0.61337257       0.22079299       0.55394814 
           0.08127534       0.01034720       0.62193647 
           0.73884723       0.84764302       0.69033436 
           0.15268264       0.27894012       0.67934606 
           0.14416898       0.59986519       0.67083984 
           0.43891646       0.62326853       0.72525659 
           0.56790943       0.50101559       0.67456724 
           0.52708564       0.59311086       0.76063355 
   
  
  
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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 
   
  
  
          0.12955506       0.12700400       0.38600242 
          0.37522421       0.12090255       0.30713816 
          0.30071256       0.08806486       0.60948809 
          0.10193427       0.39444747       0.14966291 
          0.09493011       0.37890157       0.46255381 
          0.35297353       0.36778947       0.22861610 
          0.34651255       0.34126212       0.53599225 
          0.13036037       0.62812846       0.38196055 
          0.38111705       0.62119845       0.30664867 
          0.33726216       0.58763497       0.61788449 
          0.11502093       0.89296215       0.14656992 
          0.08979222       0.87293368       0.46355055 
          0.36112496       0.86869320       0.22848144 
          0.34785380       0.83936810       0.53960604 
          0.62630035       0.17013941       0.38671635 
          0.87097119       0.09585233       0.30818779 
          0.81509209       0.12258733       0.61716995 
          0.59817085       0.36594978       0.14852497 
          0.60152391       0.42162920       0.46097217 
          0.84840656       0.34449776       0.22947380 
          0.84149797       0.35386634       0.53630768 
          0.63367905       0.67576524       0.38513235 
          0.87736864       0.60156911       0.30506185 
          0.80860743       0.64991126       0.64889190 
          0.60547744       0.86647539       0.14758736 
          0.59154410       0.92182141       0.46321264 
          0.85850415       0.84724938       0.22642219 
          0.84313441       0.85519221       0.54478035 
          0.96341904       0.38793990       0.65218882 
          0.54330560       0.22026231       0.64541366 
          0.07297689       0.01416081       0.10334005 
          0.08289146       0.02767953       0.43847635 
          0.30286308       0.23970077       0.26840239 
          0.28977763       0.18551995       0.55266549 
          0.15580678       0.26762005       0.10758924 
          0.15757652       0.27551366       0.41497739 
          0.41956310       0.48852018       0.26787981 
          0.36240667       0.43393288       0.59424950 
          0.46657485       0.30786689       0.18407972 
          0.44983407       0.37387750       0.48064901 
          0.22410811       0.43445082       0.19439472 
          0.20167394       0.40733255       0.51294297 
          0.26873265       0.06920126       0.35628814 
          0.15284733       0.06513155       0.64031705 
          0.01540620       0.14364222       0.33612020 
          0.89866540       0.22971834       0.65897527 
          0.05218127       0.51927939       0.10970326 
          0.07229268       0.52603534       0.43126085 
          0.30971596       0.74109996       0.26822593 
          0.38349192       0.68945960       0.56607152 
          0.16719495       0.76156136       0.10664778 
          0.14543794       0.77723365       0.41211892 
          0.42314749       0.99119149       0.26829349 
          0.37801178       0.94671773       0.59132606 
          0.47799257       0.80834677       0.18558732 
          0.44123378       0.86918520       0.48363172 
          0.23491377       0.93392653       0.19216538 
          0.18866541       0.85971958       0.51978533 
          0.27847648       0.57631400       0.35841562 
          0.03012283       0.64125179       0.32697954 
          0.91297303       0.53603959       0.67954718 
          0.55936604       0.98675949       0.10450874 
          0.57694336       0.07920671       0.44149528 
          0.81883141       0.19386266       0.25648428 
          0.78522884       0.20321299       0.55696516 
          0.65189301       0.23577242       0.10827186 
          0.66021021       0.32363949       0.41020654 
          0.88047823       0.44383664       0.28355356 
          0.93028432       0.42664529       0.58570217 
          0.97651734       0.32827027       0.18589034 
          0.94785676       0.32544370       0.48712071 
          0.71766630       0.40425994       0.19454444 
          0.70798855       0.43521304       0.51458795 
          0.76020323       0.09645212       0.35982417 
          0.66659030       0.10258184       0.64999609 
          0.50965921       0.18490740       0.33791791 
          0.39373000       0.15702116       0.66121555 
          0.55559845       0.48795254       0.10571603 
          0.58926727       0.57797715       0.43806518 
          0.82755612       0.69464130       0.25142533 
          0.84125654       0.71711141       0.58506305 
          0.65600890       0.73482010       0.10750801 
          0.64984193       0.82967508       0.41092772 
          0.89096661       0.94356438       0.28156999 
          0.88716146       0.97880676       0.59387735 
          0.98650509       0.83357240       0.18286296 
          0.93805275       0.82755183       0.48600449 
          0.72817320       0.90848923       0.19163012 
          0.69478601       0.90571766       0.51927874 
          0.77761894       0.62097722       0.35977382 
          0.66625133       0.56180536       0.64075734 
          0.52158454       0.68039783       0.33421327 
          0.43765833       0.57969479       0.67605973 
          0.57519884       0.35949290       0.68252409 
          0.53250002       0.25140508       0.57573301 
          0.79886576       0.77008418       0.69697370 
          0.11946804       0.37316836       0.67616752 
          0.18970448       0.64646433       0.63921873 
          0.10455516       0.11101746       0.10744853 
          0.20112820       0.29677294       0.07272794 
          0.09734336       0.61105662       0.10974349 
          0.21144215       0.78708309       0.07104659 
          0.59375989       0.08288824       0.10822584 
          0.69050335       0.26302125       0.07176881 
          0.59403020       0.58259054       0.10849785 
          0.69599206       0.76075531       0.07109212 
          0.61337257       0.22079299       0.55394814 
          0.08127534       0.01034720       0.62193647 
          0.73884723       0.84764302       0.69033436 
          0.15268264       0.27894012       0.67934606 
          0.14416898       0.59986519       0.67083984 
          0.43891646       0.62326853       0.72525659 
          0.56790943       0.50101559       0.67456724 
          0.52708564       0.59311086       0.76063355 
  
  
     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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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      25.00   25.01
      25.66   25.66
   
        473.81405041 
      49585.67073635 
     -79406.31343970 
       1709.33594424 
      26821.66247716 
     -26420.54417613 
          0.04275332 
      -1954.79030548 
      33391.18858154 
       4200.06662170 
       4200.02386838 
       4200.05237059 
   
  
  
      29.43   29.43
      29.43   29.43
   
       -408.48976508 
       -408.49389346 
       -408.49114120 
   
  
  
      28.34   28.34
      28.34   28.34
   
       -921.52637408 
       -921.55537234 
       -921.53604017 
   
  
  
      28.63   28.63
      28.63   28.64
   
       -933.91975680 
       -933.94837003 
       -933.92929454 
   
  
  
      28.63   28.63
      28.81   28.81
   
       -934.29989398 
       -934.32850279 
       -934.30943025 
   
  
  
      27.90   27.91
      28.59   28.60
   
       -829.55716087 
       -829.67220636 
       -829.59550937 
   
  
  
      30.50   30.50
      31.17   31.17
   
       -829.19649421 
       -829.28751137 
       -829.22683326 
   
  
  
      29.68   29.68
      30.33   30.34
   
       -829.07473396 
       -829.14488619 
       -829.09811804 
   
  
  
      31.20   31.22
      31.86   31.88
   
       -828.87558906 
       -828.94231863 
       -828.89783225 
   
  
  
      28.63   28.64
      29.39   29.40
   
       -828.88804665 
       -828.97401444 
       -828.91670258 
   
  
  
      31.73   31.76
      32.50   32.52
   
       -828.86718613 
       -828.96626924 
       -828.90021384 
   
  
  
      32.32   32.35
      32.98   33.00
   
       -828.86616736 
       -828.96849650 
       -828.90027707 
   
  
  
      32.02   32.07
      32.68   32.73
   
       -828.86263615 
       -828.94437496 
       -828.88988242 
   
  
  
      27.62   27.64
      28.28   28.30
   
       -828.86368410 
       -828.95949278 
       -828.89562033 
   
  
  
      30.67   30.71
      31.43   31.47
   
       -828.85375969 
       -828.96257024 
       -828.89002988 
   
  
  
      28.47   28.51
      29.14   29.19
   
       -828.85557588 
       -828.96463649 
       -828.89192942 
   
  
  
      29.60   29.62
      30.36   30.38
   
       -828.85007313 
       -828.96065454 
       -828.88693360 
   
  
  
      27.75   27.78
      28.49   28.52
   
       -828.85970487 
       -828.97347865 
       -828.89762946