vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:38 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.82000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12984764       0.12690357       0.38580088 
           0.37551679       0.12080212       0.30693662 
           0.30113186       0.08842268       0.60945477 
           0.10222685       0.39434704       0.14946137 
           0.09522269       0.37880114       0.46235227 
           0.35326611       0.36768904       0.22841456 
           0.34665783       0.34199896       0.53574363 
           0.13065295       0.62802803       0.38175901 
           0.38140963       0.62109802       0.30644713 
           0.34076482       0.58784245       0.61873350 
           0.11531351       0.89286172       0.14636838 
           0.09008480       0.87283325       0.46334901 
           0.36141754       0.86859277       0.22827990 
           0.34819959       0.83942584       0.53947554 
           0.62659293       0.17003898       0.38651481 
           0.87126377       0.09575190       0.30798625 
           0.81626750       0.12240314       0.61725311 
           0.59846343       0.36584935       0.14832343 
           0.60181649       0.42152877       0.46077063 
           0.84869914       0.34439733       0.22927226 
           0.84206481       0.35387869       0.53627954 
           0.63397163       0.67566481       0.38493081 
           0.87766122       0.60146868       0.30486031 
           0.80835801       0.64877989       0.64811022 
           0.60577002       0.86637496       0.14738582 
           0.59183668       0.92172098       0.46301110 
           0.85879673       0.84714895       0.22622065 
           0.84376323       0.85537412       0.54461110 
           0.96406081       0.38817786       0.65216409 
           0.54426767       0.21895300       0.64504857 
           0.07326947       0.01406038       0.10313851 
           0.08318404       0.02757910       0.43827481 
           0.30315566       0.23960034       0.26820085 
           0.28966005       0.18639420       0.55265149 
           0.15609936       0.26751962       0.10738770 
           0.15786910       0.27541323       0.41477585 
           0.41985568       0.48841975       0.26767827 
           0.36357009       0.43442289       0.59360172 
           0.46686743       0.30776646       0.18387818 
           0.45012665       0.37377707       0.48044747 
           0.22440069       0.43435039       0.19419318 
           0.20163112       0.40792423       0.51275674 
           0.26902523       0.06910083       0.35608660 
           0.15334310       0.06526535       0.64026708 
           0.01569878       0.14354179       0.33591866 
           0.89982770       0.22969869       0.65897077 
           0.05247385       0.51917896       0.10950172 
           0.07258526       0.52593491       0.43105931 
           0.31000854       0.74099953       0.26802439 
           0.38348982       0.69001061       0.56631133 
           0.16748753       0.76146093       0.10644624 
           0.14573052       0.77713322       0.41191738 
           0.42344007       0.99109106       0.26809195 
           0.37856029       0.94756054       0.59091635 
           0.47828515       0.80824634       0.18538578 
           0.44152636       0.86908477       0.48343018 
           0.23520635       0.93382610       0.19196384 
           0.18898986       0.85975824       0.51959184 
           0.27876906       0.57621357       0.35821408 
           0.03041541       0.64115136       0.32677800 
           0.91198481       0.53546371       0.67960326 
           0.55965862       0.98665906       0.10430720 
           0.57723594       0.07910628       0.44129374 
           0.81912399       0.19376223       0.25628274 
           0.78632458       0.20317348       0.55705262 
           0.65218559       0.23567199       0.10807032 
           0.66050279       0.32353906       0.41000500 
           0.88077081       0.44373621       0.28335202 
           0.93129098       0.42661965       0.58557240 
           0.97680992       0.32816984       0.18568880 
           0.94814934       0.32534327       0.48691917 
           0.71795888       0.40415951       0.19434290 
           0.70834486       0.43473107       0.51439094 
           0.76049581       0.09635169       0.35962263 
           0.66795633       0.10204150       0.65022277 
           0.50995179       0.18480697       0.33771637 
           0.39442487       0.15679421       0.66113139 
           0.55589103       0.48785211       0.10551449 
           0.58955985       0.57787672       0.43786364 
           0.82784870       0.69454087       0.25122379 
           0.84345634       0.71753230       0.58486728 
           0.65630148       0.73471967       0.10730647 
           0.65013451       0.82957465       0.41072618 
           0.89125919       0.94346395       0.28136845 
           0.88798507       0.97874979       0.59374055 
           0.98679767       0.83347197       0.18266142 
           0.93834533       0.82745140       0.48580295 
           0.72846578       0.90838880       0.19142858 
           0.69518438       0.90553219       0.51910511 
           0.77791152       0.62087679       0.35957228 
           0.66877240       0.55999761       0.63738821 
           0.52187712       0.68029740       0.33401173 
           0.44630269       0.57553529       0.67419904 
           0.57603587       0.35948516       0.68077531 
           0.53337340       0.24952731       0.57537769 
           0.79352612       0.76731037       0.69681966 
           0.11996484       0.37362202       0.67638383 
           0.19294297       0.64490966       0.64092139 
           0.10484774       0.11091703       0.10724699 
           0.20142078       0.29667251       0.07252640 
           0.09763594       0.61095619       0.10954195 
           0.21173473       0.78698266       0.07084505 
           0.59405247       0.08278781       0.10802430 
           0.69079593       0.26292082       0.07156727 
           0.59432278       0.58249011       0.10829631 
           0.69628464       0.76065488       0.07089058 
           0.61477336       0.21973916       0.55372798 
           0.08212317       0.00981366       0.62202114 
           0.73105751       0.84328846       0.69054238 
           0.15296787       0.27942279       0.68004514 
           0.15154660       0.59835031       0.67353971 
           0.43566524       0.62446308       0.73817359 
           0.56545683       0.49775838       0.66670186 
           0.47974163       0.62027373       0.77502496 
   
  
  
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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
         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 
   
  
  
          0.12984764       0.12690357       0.38580088 
          0.37551679       0.12080212       0.30693662 
          0.30113186       0.08842268       0.60945477 
          0.10222685       0.39434704       0.14946137 
          0.09522269       0.37880114       0.46235227 
          0.35326611       0.36768904       0.22841456 
          0.34665783       0.34199896       0.53574363 
          0.13065295       0.62802803       0.38175901 
          0.38140963       0.62109802       0.30644713 
          0.34076482       0.58784245       0.61873350 
          0.11531351       0.89286172       0.14636838 
          0.09008480       0.87283325       0.46334901 
          0.36141754       0.86859277       0.22827990 
          0.34819959       0.83942584       0.53947554 
          0.62659293       0.17003898       0.38651481 
          0.87126377       0.09575190       0.30798625 
          0.81626750       0.12240314       0.61725311 
          0.59846343       0.36584935       0.14832343 
          0.60181649       0.42152877       0.46077063 
          0.84869914       0.34439733       0.22927226 
          0.84206481       0.35387869       0.53627954 
          0.63397163       0.67566481       0.38493081 
          0.87766122       0.60146868       0.30486031 
          0.80835801       0.64877989       0.64811022 
          0.60577002       0.86637496       0.14738582 
          0.59183668       0.92172098       0.46301110 
          0.85879673       0.84714895       0.22622065 
          0.84376323       0.85537412       0.54461110 
          0.96406081       0.38817786       0.65216409 
          0.54426767       0.21895300       0.64504857 
          0.07326947       0.01406038       0.10313851 
          0.08318404       0.02757910       0.43827481 
          0.30315566       0.23960034       0.26820085 
          0.28966005       0.18639420       0.55265149 
          0.15609936       0.26751962       0.10738770 
          0.15786910       0.27541323       0.41477585 
          0.41985568       0.48841975       0.26767827 
          0.36357009       0.43442289       0.59360172 
          0.46686743       0.30776646       0.18387818 
          0.45012665       0.37377707       0.48044747 
          0.22440069       0.43435039       0.19419318 
          0.20163112       0.40792423       0.51275674 
          0.26902523       0.06910083       0.35608660 
          0.15334310       0.06526535       0.64026708 
          0.01569878       0.14354179       0.33591866 
          0.89982770       0.22969869       0.65897077 
          0.05247385       0.51917896       0.10950172 
          0.07258526       0.52593491       0.43105931 
          0.31000854       0.74099953       0.26802439 
          0.38348982       0.69001061       0.56631133 
          0.16748753       0.76146093       0.10644624 
          0.14573052       0.77713322       0.41191738 
          0.42344007       0.99109106       0.26809195 
          0.37856029       0.94756054       0.59091635 
          0.47828515       0.80824634       0.18538578 
          0.44152636       0.86908477       0.48343018 
          0.23520635       0.93382610       0.19196384 
          0.18898986       0.85975824       0.51959184 
          0.27876906       0.57621357       0.35821408 
          0.03041541       0.64115136       0.32677800 
          0.91198481       0.53546371       0.67960326 
          0.55965862       0.98665906       0.10430720 
          0.57723594       0.07910628       0.44129374 
          0.81912399       0.19376223       0.25628274 
          0.78632458       0.20317348       0.55705262 
          0.65218559       0.23567199       0.10807032 
          0.66050279       0.32353906       0.41000500 
          0.88077081       0.44373621       0.28335202 
          0.93129098       0.42661965       0.58557240 
          0.97680992       0.32816984       0.18568880 
          0.94814934       0.32534327       0.48691917 
          0.71795888       0.40415951       0.19434290 
          0.70834486       0.43473107       0.51439094 
          0.76049581       0.09635169       0.35962263 
          0.66795633       0.10204150       0.65022277 
          0.50995179       0.18480697       0.33771637 
          0.39442487       0.15679421       0.66113139 
          0.55589103       0.48785211       0.10551449 
          0.58955985       0.57787672       0.43786364 
          0.82784870       0.69454087       0.25122379 
          0.84345634       0.71753230       0.58486728 
          0.65630148       0.73471967       0.10730647 
          0.65013451       0.82957465       0.41072618 
          0.89125919       0.94346395       0.28136845 
          0.88798507       0.97874979       0.59374055 
          0.98679767       0.83347197       0.18266142 
          0.93834533       0.82745140       0.48580295 
          0.72846578       0.90838880       0.19142858 
          0.69518438       0.90553219       0.51910511 
          0.77791152       0.62087679       0.35957228 
          0.66877240       0.55999761       0.63738821 
          0.52187712       0.68029740       0.33401173 
          0.44630269       0.57553529       0.67419904 
          0.57603587       0.35948516       0.68077531 
          0.53337340       0.24952731       0.57537769 
          0.79352612       0.76731037       0.69681966 
          0.11996484       0.37362202       0.67638383 
          0.19294297       0.64490966       0.64092139 
          0.10484774       0.11091703       0.10724699 
          0.20142078       0.29667251       0.07252640 
          0.09763594       0.61095619       0.10954195 
          0.21173473       0.78698266       0.07084505 
          0.59405247       0.08278781       0.10802430 
          0.69079593       0.26292082       0.07156727 
          0.59432278       0.58249011       0.10829631 
          0.69628464       0.76065488       0.07089058 
          0.61477336       0.21973916       0.55372798 
          0.08212317       0.00981366       0.62202114 
          0.73105751       0.84328846       0.69054238 
          0.15296787       0.27942279       0.68004514 
          0.15154660       0.59835031       0.67353971 
          0.43566524       0.62446308       0.73817359 
          0.56545683       0.49775838       0.66670186 
          0.47974163       0.62027373       0.77502496 
  
  
     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 
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     F  F  F 
     F  F  F 
     T  T  T 
     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 
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     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 
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     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
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     T  T  T 
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     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
     F  F  F 
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     F  F  F 
     F  F  F 
     T  T  T 
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     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 
  
 
 
  
      22.03   22.04
      23.04   23.05
   
        473.81405041 
      49301.96736055 
     -79113.08822153 
       1709.48794031 
      26821.66247716 
     -26420.54417613 
          0.00256810 
      -1959.92505865 
      33391.18858154 
       4204.56552175 
       4204.56295365 
       4204.56466572 
   
  
  
      29.67   29.67
      29.67   29.68
   
       -410.45495027 
       -410.48223000 
       -410.46404351 
   
  
  
      28.28   28.28
      28.28   28.28
   
       -922.80800166 
       -922.94126345 
       -922.85242226 
   
  
  
      28.50   28.51
      28.51   28.51
   
       -935.02987484 
       -935.16995604 
       -935.07656857 
   
  
  
      28.59   28.59
      28.77   28.77
   
       -935.40970447 
       -935.54880397 
       -935.45607097 
   
  
  
      27.94   27.96
      28.63   28.65
   
       -830.55301719 
       -830.60752498 
       -830.57118646 
   
  
  
      30.32   30.32
      30.99   31.00
   
       -830.14140513 
       -830.19864491 
       -830.16048506 
   
  
  
      28.77   28.78
      29.45   29.45
   
       -829.85238312 
       -829.92555683 
       -829.87677436 
   
  
  
      32.75   32.76
      33.52   33.53
   
       -829.86409218 
       -829.91573413 
       -829.88130616 
   
  
  
      30.66   30.68
      31.36   31.38
   
       -829.83048724 
       -829.88741250 
       -829.84946233 
   
  
  
      28.47   28.50
      29.23   29.26
   
       -829.82667745 
       -829.89303837 
       -829.84879776 
   
  
  
      31.46   31.48
      32.26   32.28
   
       -829.81921767 
       -829.89556528 
       -829.84466687 
   
  
  
      29.19   29.21
      29.84   29.87
   
       -829.81803559 
       -829.89309837 
       -829.84305651 
   
  
  
      28.46   28.52
      29.18   29.24
   
       -829.81762914 
       -829.89429357 
       -829.84318395 
   
  
  
      28.21   28.27
      28.93   29.00
   
       -829.82003259 
       -829.89901731 
       -829.84636083 
   
  
  
      29.55   29.59
      30.21   30.25
   
       -829.82128884 
       -829.90172709 
       -829.84810159 
   
  
  
      28.15   28.19
      28.85   28.89
   
       -829.82269753 
       -829.90419831 
       -829.84986446 
   
  
  
      28.58   28.60
      29.26   29.28
   
       -829.82709698 
       -829.91234862 
       -829.85551419