vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.82000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.20000000       0.00000000       0.00000000 
            0.00000000      11.20000000       0.00000000 
            0.00000000       0.00000000      32.40000000 
    
       4064.25600000 
    
            0.08928571       0.00000000       0.00000000 
            0.00000000       0.08928571       0.00000000 
            0.00000000       0.00000000       0.03086420 
    
   
   
           0.12854036       0.12094817       0.52192784 
           0.38309311       0.12313390       0.25782257 
           0.12224159       0.37469294       0.57547658 
           0.32024652       0.37389810       0.21513819 
           0.38773537       0.37087949       0.62584562 
           0.13413206       0.12173460       0.31056762 
           0.37886166       0.12120690       0.46923020 
           0.12913984       0.37215305       0.36248611 
           0.37752081       0.37075573       0.41499510 
           0.12837373       0.62350198       0.52056850 
           0.38095304       0.62372210       0.25818573 
           0.12158965       0.87039679       0.57297549 
           0.31540025       0.87305929       0.21663485 
           0.37902134       0.87188293       0.62524221 
           0.13147117       0.62287792       0.31046066 
           0.37944282       0.62111971       0.46824910 
           0.13269895       0.87236301       0.36365087 
           0.38540242       0.87078298       0.41482400 
           0.62949624       0.12230467       0.52120160 
           0.88534371       0.12467386       0.25791501 
           0.63659811       0.37214719       0.57553706 
           0.82573561       0.37347222       0.21430264 
           0.63341102       0.12309067       0.30954033 
           0.88020661       0.12261112       0.46844048 
           0.62930686       0.37251427       0.36231158 
           0.87891647       0.37251310       0.41448259 
           0.62940101       0.62078715       0.52072515 
           0.88519037       0.62066691       0.25690568 
           0.62589630       0.87106006       0.57089912 
           0.81873244       0.87381644       0.21753727 
           0.86981840       0.90489034       0.62415272 
           0.63389917       0.62012283       0.30860418 
           0.87957286       0.62342392       0.46784401 
           0.63338251       0.87047119       0.36064706 
           0.88170080       0.87319719       0.41447445 
           0.12417823       0.99671419       0.54925152 
           0.38270825       0.24744765       0.23005594 
           0.39312280       0.23108094       0.64632151 
           0.12114927       0.24846019       0.55021730 
           0.38440905       0.49958153       0.23007619 
           0.39962578       0.51114504       0.64750828 
           0.50526082       0.37240741       0.59703033 
           0.18373420       0.38465870       0.23337635 
           0.24846043       0.37576192       0.60190163 
           0.26031047       0.12094045       0.28461183 
           0.01175486       0.12355025       0.28226129 
           0.13092752       0.99845065       0.33702042 
           0.37290078       0.24515323       0.44109885 
           0.13074504       0.24681314       0.33618657 
           0.37329986       0.49638938       0.44102452 
           0.50550383       0.37007353       0.38917447 
           0.25418191       0.37009732       0.38811878 
           0.25640503       0.11930309       0.49655389 
           0.00738536       0.12377927       0.49264995 
           0.12532885       0.49518193       0.54760242 
           0.38139524       0.74869473       0.23094179 
           0.38761893       0.73477079       0.64850101 
           0.12631802       0.74638903       0.54781679 
           0.38565228       0.99864204       0.23001449 
           0.38552747       0.00868307       0.64687577 
           0.50034737       0.87018467       0.59982964 
           0.18205910       0.86606981       0.23757662 
           0.24354464       0.86876766       0.60224296 
           0.25955053       0.62348512       0.28550378 
           0.00823754       0.61946951       0.28325196 
           0.13064665       0.49929903       0.33717056 
           0.38970943       0.74615259       0.44203285 
           0.12942343       0.74683704       0.33723875 
           0.39145955       0.99541143       0.44235440 
           0.50587431       0.86602986       0.38502617 
           0.25654126       0.87377731       0.39008099 
           0.25516713       0.62595280       0.49478768 
           0.00562147       0.62162373       0.49275374 
           0.62220745       0.99533191       0.54574959 
           0.89086588       0.24882217       0.23035707 
           0.62921518       0.24479478       0.54631770 
           0.89185558       0.50112579       0.22684120 
           0.87901715       0.41519148       0.66125421 
           0.99760859       0.38061479       0.60769489 
           0.69123911       0.36259294       0.23419074 
           0.76908883       0.37292227       0.59826772 
           0.76110043       0.12304791       0.28394040 
           0.51024288       0.12320053       0.28171839 
           0.63088033       0.99837720       0.33536965 
           0.87668781       0.24936659       0.44181226 
           0.63059376       0.24687630       0.33635025 
           0.87853931       0.49776775       0.44084276 
           0.00414877       0.37064494       0.38871200 
           0.75360149       0.37306785       0.38832634 
           0.75663379       0.12143570       0.49491475 
           0.50379117       0.12975506       0.49436031 
           0.63231655       0.50053504       0.54629664 
           0.88484448       0.75003023       0.23186813 
           0.86236460       0.83864854       0.66862779 
           0.62123060       0.74590141       0.54559214 
           0.88871339       0.00032542       0.23025854 
           0.89254507       0.04285642       0.63125499 
           0.99510939       0.86458843       0.59971923 
           0.68589595       0.86732004       0.23878819 
           0.75384730       0.86834046       0.59621358 
           0.75749615       0.60935253       0.28120312 
           0.50817298       0.62164506       0.28234229 
           0.62729174       0.49778741       0.33639862 
           0.88106144       0.74672837       0.44084060 
           0.64216866       0.74689716       0.33329995 
           0.88156591       0.99961649       0.44099503 
           0.00941860       0.87390026       0.38958152 
           0.75622895       0.87400807       0.38786741 
           0.75537620       0.62282034       0.49388692 
           0.50340646       0.61194296       0.49393893 
           0.33040875       0.36518056       0.16434908 
           0.31191970       0.87342548       0.16573026 
           0.83011364       0.36841998       0.16327007 
           0.81537996       0.87240755       0.16649777 
           0.64760651       0.56541766       0.69448135 
           0.88597241       0.38778935       0.62369856 
           0.12513338       0.32458915       0.22637309 
           0.11932486       0.91979328       0.22809590 
           0.62963304       0.41918239       0.22554865 
           0.62352833       0.92154892       0.22962069 
           0.31341021       0.43813871       0.14934187 
           0.34527755       0.94272760       0.15243575 
           0.84943795       0.44390043       0.15048763 
           0.83614187       0.94632783       0.15296842 
           0.25722207       0.12699980       0.62175458 
           0.27155127       0.61428865       0.67773060 
           0.26308801       0.61511736       0.62092805 
           0.27273241       0.12720311       0.67788715 
           0.78444591       0.43591105       0.66938969 
           0.86369159       0.72463692       0.66419571 
           0.83353893       0.09089733       0.65371495 
           0.62422706       0.60511301       0.72046326 
           0.55726379       0.58979035       0.67058469 
           0.32318391       0.61551962       0.64818322 
           0.32027961       0.12828253       0.64768070 
   
  
  
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         135 
  
 
 
  
          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
       644.87300000
         0.00001000
       38
       10
      392
       -1
       -1
       648.00000000
        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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       56
       56
      160
      112
      112
      320
    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      0.82000000      0.32000000      0.77000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     10.81100000      1.00000000     12.01100000
         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
        18.06336000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       135 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    B    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      17H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          11.20000000       0.00000000       0.00000000 
           0.00000000      11.20000000       0.00000000 
           0.00000000       0.00000000      32.40000000 
   
      4064.25600000 
   
           0.08928571       0.00000000       0.00000000 
           0.00000000       0.08928571       0.00000000 
           0.00000000       0.00000000       0.03086420 
   
  
  
          0.12854036       0.12094817       0.52192784 
          0.38309311       0.12313390       0.25782257 
          0.12224159       0.37469294       0.57547658 
          0.32024652       0.37389810       0.21513819 
          0.38773537       0.37087949       0.62584562 
          0.13413206       0.12173460       0.31056762 
          0.37886166       0.12120690       0.46923020 
          0.12913984       0.37215305       0.36248611 
          0.37752081       0.37075573       0.41499510 
          0.12837373       0.62350198       0.52056850 
          0.38095304       0.62372210       0.25818573 
          0.12158965       0.87039679       0.57297549 
          0.31540025       0.87305929       0.21663485 
          0.37902134       0.87188293       0.62524221 
          0.13147117       0.62287792       0.31046066 
          0.37944282       0.62111971       0.46824910 
          0.13269895       0.87236301       0.36365087 
          0.38540242       0.87078298       0.41482400 
          0.62949624       0.12230467       0.52120160 
          0.88534371       0.12467386       0.25791501 
          0.63659811       0.37214719       0.57553706 
          0.82573561       0.37347222       0.21430264 
          0.63341102       0.12309067       0.30954033 
          0.88020661       0.12261112       0.46844048 
          0.62930686       0.37251427       0.36231158 
          0.87891647       0.37251310       0.41448259 
          0.62940101       0.62078715       0.52072515 
          0.88519037       0.62066691       0.25690568 
          0.62589630       0.87106006       0.57089912 
          0.81873244       0.87381644       0.21753727 
          0.86981840       0.90489034       0.62415272 
          0.63389917       0.62012283       0.30860418 
          0.87957286       0.62342392       0.46784401 
          0.63338251       0.87047119       0.36064706 
          0.88170080       0.87319719       0.41447445 
          0.12417823       0.99671419       0.54925152 
          0.38270825       0.24744765       0.23005594 
          0.39312280       0.23108094       0.64632151 
          0.12114927       0.24846019       0.55021730 
          0.38440905       0.49958153       0.23007619 
          0.39962578       0.51114504       0.64750828 
          0.50526082       0.37240741       0.59703033 
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          0.24846043       0.37576192       0.60190163 
          0.26031047       0.12094045       0.28461183 
          0.01175486       0.12355025       0.28226129 
          0.13092752       0.99845065       0.33702042 
          0.37290078       0.24515323       0.44109885 
          0.13074504       0.24681314       0.33618657 
          0.37329986       0.49638938       0.44102452 
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          0.00738536       0.12377927       0.49264995 
          0.12532885       0.49518193       0.54760242 
          0.38139524       0.74869473       0.23094179 
          0.38761893       0.73477079       0.64850101 
          0.12631802       0.74638903       0.54781679 
          0.38565228       0.99864204       0.23001449 
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          0.50034737       0.87018467       0.59982964 
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          0.13064665       0.49929903       0.33717056 
          0.38970943       0.74615259       0.44203285 
          0.12942343       0.74683704       0.33723875 
          0.39145955       0.99541143       0.44235440 
          0.50587431       0.86602986       0.38502617 
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          0.89086588       0.24882217       0.23035707 
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          0.88484448       0.75003023       0.23186813 
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          0.62123060       0.74590141       0.54559214 
          0.88871339       0.00032542       0.23025854 
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          0.99510939       0.86458843       0.59971923 
          0.68589595       0.86732004       0.23878819 
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          0.75749615       0.60935253       0.28120312 
          0.50817298       0.62164506       0.28234229 
          0.62729174       0.49778741       0.33639862 
          0.88106144       0.74672837       0.44084060 
          0.64216866       0.74689716       0.33329995 
          0.88156591       0.99961649       0.44099503 
          0.00941860       0.87390026       0.38958152 
          0.75622895       0.87400807       0.38786741 
          0.75537620       0.62282034       0.49388692 
          0.50340646       0.61194296       0.49393893 
          0.33040875       0.36518056       0.16434908 
          0.31191970       0.87342548       0.16573026 
          0.83011364       0.36841998       0.16327007 
          0.81537996       0.87240755       0.16649777 
          0.64760651       0.56541766       0.69448135 
          0.88597241       0.38778935       0.62369856 
          0.12513338       0.32458915       0.22637309 
          0.11932486       0.91979328       0.22809590 
          0.62963304       0.41918239       0.22554865 
          0.62352833       0.92154892       0.22962069 
          0.31341021       0.43813871       0.14934187 
          0.34527755       0.94272760       0.15243575 
          0.84943795       0.44390043       0.15048763 
          0.83614187       0.94632783       0.15296842 
          0.25722207       0.12699980       0.62175458 
          0.27155127       0.61428865       0.67773060 
          0.26308801       0.61511736       0.62092805 
          0.27273241       0.12720311       0.67788715 
          0.78444591       0.43591105       0.66938969 
          0.86369159       0.72463692       0.66419571 
          0.83353893       0.09089733       0.65371495 
          0.62422706       0.60511301       0.72046326 
          0.55726379       0.58979035       0.67058469 
          0.32318391       0.61551962       0.64818322 
          0.32027961       0.12828253       0.64768070 
  
 
 
  
      43.78   43.87
      44.52   44.61
   
        359.16747114 
     170714.20807530 
    -203949.27820722 
       1979.37365423 
      31105.11356243 
     -30633.67676583 
          0.01439833 
      -2853.62789964 
      38765.91630275 
       5487.21059149 
       5487.19619316 
       5487.20579205 
   
  
  
      48.79   48.80
      48.79   48.80
   
       -177.79232104 
       -177.81453396 
       -177.79972535 
   
  
  
      43.57   43.57
      43.57   43.57
   
      -1078.68477077 
      -1078.70964552 
      -1078.69306235 
   
  
  
      44.14   44.15
      44.14   44.15
   
      -1105.25120039 
      -1105.27868315 
      -1105.26036131 
   
  
  
      45.39   45.41
      45.59   45.60
   
      -1106.10995876 
      -1106.13747822 
      -1106.11913191 
   
  
  
      42.64   42.65
      43.32   43.34
   
       -978.29891796 
       -978.31056491 
       -978.30280028 
   
  
  
      47.36   47.37
      48.04   48.05
   
       -977.15067343 
       -977.17793059 
       -977.15975915 
   
  
  
      44.18   44.19
      44.83   44.83
   
       -976.51029639 
       -976.52776741 
       -976.51612006 
   
  
  
      44.94   44.94
      45.58   45.58
   
       -976.37308288 
       -976.38644484 
       -976.37753687 
   
  
  
      44.26   44.25
      44.84   44.84
   
       -976.37041559 
       -976.38999407 
       -976.37694175 
   
  
  
      43.71   43.71
      44.32   44.31
   
       -976.36773985 
       -976.40153209 
       -976.37900393 
   
  
  
      48.67   48.67
      49.29   49.29
   
       -976.37327938 
       -976.40548813 
       -976.38401563 
   
  
  
      52.82   52.82
      53.42   53.42
   
       -976.36890798 
       -976.41244990 
       -976.38342195 
   
  
  
      49.45   49.46
      50.08   50.08
   
       -976.36429564 
       -976.43422815 
       -976.38760648 
   
  
  
      43.09   43.08
      43.71   43.71
   
       -976.36535266 
       -976.42734365 
       -976.38601632 
   
  
  
      43.38   43.38
      44.00   44.00
   
       -976.36618935 
       -976.42431500 
       -976.38556457 
   
  
  
      52.79   52.79
      53.45   53.45
   
       -976.37224206 
       -976.41345918 
       -976.38598110