vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:02:33 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92960018       0.52735952       0.10688172 
           0.84938504       0.23302647       0.42770250 
           0.13623563       0.44779663       0.19586466 
           0.09212076       0.28314988       0.33396562 
           0.81776495       0.33184534       0.02689076 
           0.95641394       0.42099862       0.51798502 
           0.08167498       0.33305955       0.13720103 
           0.19882971       0.40643301       0.39026268 
           0.83192599       0.54500959       0.52412689 
           0.77182449       0.24319900       0.88175606 
           0.06325973       0.50987479       0.65278294 
           0.01390812       0.20528162       0.75968249 
           0.90197097       0.30980844       0.59326207 
           0.86336318       0.44269840       0.95545350 
           0.13872369       0.32318635       0.73688604 
           0.09779264       0.43415681       0.81938555 
           0.42231666       0.46072952       0.12186256 
           0.36329256       0.29013962       0.42142701 
           0.69053700       0.48251155       0.20829998 
           0.64157551       0.31246321       0.34111398 
           0.32599273       0.31644839       0.01074557 
           0.43371732       0.43861157       0.52094264 
           0.56230525       0.34651297       0.14219508 
           0.69216700       0.42935078       0.40139970 
           0.31730433       0.55538607       0.55015676 
           0.27346669       0.23096011       0.86437261 
           0.59882052       0.51666834       0.65689228 
           0.53791694       0.20834868       0.75249533 
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           0.66837813       0.32528678       0.72653423 
           0.63020468       0.43523330       0.81520970 
           0.65534918       0.70719347       0.62314782 
           0.67669843       0.72100960       0.55933198 
           0.45672672       0.58049958       0.67256968 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     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
     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
           0.00000002
           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
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
         0.50000000
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         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92960018       0.52735952       0.10688172 
          0.84938504       0.23302647       0.42770250 
          0.13623563       0.44779663       0.19586466 
          0.09212076       0.28314988       0.33396562 
          0.81776495       0.33184534       0.02689076 
          0.95641394       0.42099862       0.51798502 
          0.08167498       0.33305955       0.13720103 
          0.19882971       0.40643301       0.39026268 
          0.83192599       0.54500959       0.52412689 
          0.77182449       0.24319900       0.88175606 
          0.06325973       0.50987479       0.65278294 
          0.01390812       0.20528162       0.75968249 
          0.90197097       0.30980844       0.59326207 
          0.86336318       0.44269840       0.95545350 
          0.13872369       0.32318635       0.73688604 
          0.09779264       0.43415681       0.81938555 
          0.42231666       0.46072952       0.12186256 
          0.36329256       0.29013962       0.42142701 
          0.69053700       0.48251155       0.20829998 
          0.64157551       0.31246321       0.34111398 
          0.32599273       0.31644839       0.01074557 
          0.43371732       0.43861157       0.52094264 
          0.56230525       0.34651297       0.14219508 
          0.69216700       0.42935078       0.40139970 
          0.31730433       0.55538607       0.55015676 
          0.27346669       0.23096011       0.86437261 
          0.59882052       0.51666834       0.65689228 
          0.53791694       0.20834868       0.75249533 
          0.39611831       0.32894588       0.62267050 
          0.36777829       0.42548869       0.92043529 
          0.66837813       0.32528678       0.72653423 
          0.63020468       0.43523330       0.81520970 
          0.65534918       0.70719347       0.62314782 
          0.67669843       0.72100960       0.55933198 
          0.45672672       0.58049958       0.67256968 
  
 
 
  
      12.46   12.48
      13.12   13.14
   
         24.76344702 
       8961.81840177 
     -12243.71324098 
       -264.20080602 
       3167.08814863 
      -2605.71786812 
         -0.00301837 
       -196.99048555 
       3755.32434067 
        598.36891906 
        598.37193743 
        598.36992519 
   
  
  
      15.57   15.59
      15.57   15.59
   
        -89.33140322 
        -89.33153032 
        -89.33144559 
   
  
  
      14.87   14.90
      14.87   14.91
   
       -162.69363342 
       -162.66839025 
       -162.68521903 
   
  
  
      15.38   15.40
      15.38   15.41
   
       -165.69939169 
       -165.67203672 
       -165.69027337 
   
  
  
      15.56   15.63
      15.71   15.78
   
       -165.84731051 
       -165.81991456 
       -165.83817853 
   
  
  
      16.13   16.17
      16.92   16.97
   
     -19831.70030551 
     -19831.71065559 
     -19831.70375554 
   
  
  
      13.19   13.24
      14.00   14.06
   
       -108.17655748 
       -108.18410100 
       -108.17907199 
   
  
  
      15.30   15.35
      16.13   16.18
   
       -139.64308934 
       -139.64695993 
       -139.64437954 
   
  
  
      16.60   16.67
      17.45   17.52
   
       -336.33960847 
       -336.34250364 
       -336.34057352 
   
  
  
      13.45   13.51
      14.27   14.33
   
       -138.08885544 
       -138.06779889 
       -138.08183659 
   
  
  
      14.86   14.90
      15.69   15.73
   
       -146.43922487 
       -146.41304482 
       -146.43049819 
   
  
  
      14.88   14.94
      15.70   15.76
   
       -150.02254516 
       -150.00736085 
       -150.01748373 
   
  
  
      13.70   13.76
      14.52   14.58
   
       -154.93532258 
       -154.94013380 
       -154.93692632 
   
  
  
      13.61   13.64
      14.43   14.47
   
       -162.67163618 
       -162.68446031 
       -162.67591089 
   
  
  
      13.78   13.82
      14.62   14.66
   
       -167.36751334 
       -167.39237357 
       -167.37580008 
   
  
  
      13.58   13.64
      14.38   14.45
   
       -170.89181520 
       -170.91839108 
       -170.90067383 
   
  
  
      13.26   13.30
      14.08   14.12
   
       -172.88525826 
       -172.91122051 
       -172.89391234 
   
  
  
      13.57   13.64
      14.38   14.44
   
       -173.59719359 
       -173.62377297 
       -173.60605338 
   
  
  
      13.49   13.54
      14.32   14.37
   
       -174.00478109 
       -174.03202432 
       -174.01386217 
   
  
  
      14.05   14.08
      14.88   14.91
   
       -173.93537361 
       -173.96260133 
       -173.94444951 
   
  
  
      14.57   14.62
      15.41   15.46
   
       -174.22757043 
       -174.25450958 
       -174.23655014 
   
  
  
      13.79   13.82
      14.62   14.66
   
       -174.36172086 
       -174.38854165 
       -174.37066112 
   
  
  
      14.31   14.37
      15.15   15.21
   
       -174.46276831 
       -174.48978965 
       -174.47177542 
   
  
  
      13.35   13.41
      14.25   14.31
   
       -172.87768942 
       -172.90481290 
       -172.88673058 
   
  
  
      13.84   13.88
      14.72   14.76
   
       -174.44659323 
       -174.47370862 
       -174.45563169 
   
  
  
      14.10   14.15
      15.10   15.15
   
       -174.66760674 
       -174.69462213 
       -174.67661187 
   
  
  
      13.37   13.42
      14.25   14.30
   
       -172.30440579 
       -172.33139821 
       -172.31340327 
   
  
  
      13.22   13.27
      14.11   14.16
   
       -174.28627147 
       -174.31325658 
       -174.29526650 
   
  
  
      15.55   15.60
      16.54   16.59
   
       -738.41697008 
       -738.42212175 
       -738.41868730 
   
  
  
      11.88   11.93
      12.72   12.77
   
       -166.17757690 
       -166.18068498 
       -166.17861293 
   
  
  
      10.57   10.64
      11.55   11.62
   
       -173.77520926 
       -173.80204863 
       -173.78415571 
   
  
  
       9.27    9.32
      10.33   10.37
   
       -174.25291168 
       -174.27965296 
       -174.26182544 
   
  
  
       8.02    8.06
       9.06    9.10
   
       -174.35956034 
       -174.38630810 
       -174.36847626 
   
  
  
       5.55    5.60
       6.43    6.47
   
     -81600.82638498 
     -81600.81650489 
     -81600.82309162 
   
  
  
       2.71    2.76
       3.61    3.66
   
       -130.09538066 
       -130.09797190 
       -130.09624440 
   
  
  
       2.80    2.83
       3.61    3.64
   
       -168.23227256 
       -168.23525539 
       -168.23326683 
   
  
  
       2.92    2.96
       3.68    3.71
   
       -173.73276284 
       -173.75946999 
       -173.74166523 
   
  
  
       1.70    1.72
       2.39    2.40
   
       -174.28422310 
       -174.31130966 
       -174.29325196 
   
  
  
       1.78    1.79
       2.45    2.46
   
       -174.30498889 
       -174.33181735 
       -174.31393171 
   
  
  
       1.73    1.75
       2.40    2.42
   
       -173.69195856 
       -173.71875580 
       -173.70089097 
   
  
  
       1.65    1.67
       2.31    2.33
   
       -174.38244062 
       -174.40925728 
       -174.39137951 
   
  
  
       1.58    1.60
       2.21    2.23
   
       -174.23626594 
       -174.26310039 
       -174.24521076 
   
  
  
       1.53    1.55
       2.17    2.18
   
       -167.80390598 
       -167.78274805 
       -167.79685334 
   
  
  
       1.61    1.64
       2.25    2.29
   
       -173.25636046 
       -173.28318439 
       -173.26530177 
   
  
  
       1.56    1.58
       2.21    2.23
   
       -174.06500643 
       -174.09185409 
       -174.07395565 
   
  
  
       1.58    1.60
       2.23    2.24
   
       -174.14196453 
       -174.16880528 
       -174.15091145 
   
  
  
       1.60    1.62
       2.27    2.29
   
       -174.14860575 
       -174.17543907 
       -174.15755019 
   
  
  
       1.55    1.56
       2.21    2.23
   
       -174.15286376 
       -174.17970454 
       -174.16181068 
   
  
  
       1.99    2.01
       2.66    2.67
   
     -73370.12131085 
     -73370.12608670 
     -73370.12290280 
   
  
  
       1.60    1.61
       2.27    2.28
   
       -129.22062766 
       -129.21623643 
       -129.21916392 
   
  
  
       1.72    1.74
       2.39    2.41
   
       -168.35365613 
       -168.36397120 
       -168.35709449 
   
  
  
       1.77    1.80
       2.47    2.50
   
       -173.87044190 
       -173.89667849 
       -173.87918743 
   
  
  
       1.72    1.74
       2.38    2.39
   
       -174.07271434 
       -174.09965351 
       -174.08169406 
   
  
  
       1.76    1.77
       2.40    2.42
   
       -174.10168907 
       -174.12861875 
       -174.11066563 
   
  
  
       1.80    1.82
       2.45    2.47
   
       -174.15077733 
       -174.17765525 
       -174.15973663 
   
  
  
       1.99    2.00
       2.62    2.63
   
    -400102.54648895 
    -400102.55639379 
    -400102.54979056 
   
  
  
       1.66    1.68
       2.30    2.32
   
       -231.44949883 
       -231.45087534 
       -231.44995767 
   
  
  
       1.80    1.81
       2.44    2.45
   
       -165.44293325 
       -165.42295363 
       -165.43627338 
   
  
  
       1.80    1.82
       2.45    2.47
   
       -172.51523091 
       -172.53971387 
       -172.52339189 
   
  
  
       1.79    1.80
       2.43    2.45
   
       -174.54677721 
       -174.57356197 
       -174.55570546 
   
  
  
       1.97    1.99
       2.62    2.63
   
       -174.10778754 
       -174.13397686 
       -174.11651731 
   
  
  
       1.90    1.92
       2.54    2.56
   
       -174.81374932 
       -174.84147613 
       -174.82299159 
   
  
  
       1.94    1.95
       2.58    2.59
   
       -176.52521743 
       -176.55300111 
       -176.53447866 
   
  
  
       1.98    1.99
       2.61    2.63
   
       -182.59954001 
       -182.61294383 
       -182.60400795 
   
  
  
       1.98    2.02
       2.63    2.67
   
       -182.71649393 
       -182.73635889 
       -182.72311558 
   
  
  
       1.93    1.95
       2.57    2.59
   
       -177.98220239 
       -177.97038010 
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       1.93    1.95
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       -192.38498490 
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       -192.38038484 
   
  
  
       1.92    1.95
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       -216.66538944 
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       -216.65611671 
   
  
  
       1.96    1.98
       2.61    2.63
   
       -317.51471010 
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       -317.50771832 
   
  
  
       1.90    1.93
       2.55    2.57
   
      -1514.95802511 
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      -1514.94726873 
   
  
  
       1.88    1.90
       2.51    2.53
   
      -2688.84068025 
      -2688.82857557 
      -2688.83664536 
   
  
  
       1.87    1.88
       2.51    2.52
   
      -1191.28787824 
      -1191.27363275 
      -1191.28312974 
   
  
  
       1.86    1.89
       2.50    2.53
   
      -4696.12238251 
      -4696.11856359 
      -4696.12110954 
   
  
  
       1.92    1.94
       2.57    2.58
   
     -36431.36481279 
     -36431.35621634 
     -36431.36194730 
   
  
  
       1.92    1.94
       2.56    2.58
   
      -4292.58273916 
      -4292.55334513 
      -4292.57294115 
   
  
  
       1.87    1.89
       2.50    2.52
   
      -2956.45167891 
      -2956.46712264 
      -2956.45682682 
   
  
  
       1.71    1.73
       2.34    2.36
   
     -17827.32070085 
     -17827.32463152 
     -17827.32201107 
   
  
  
       2.02    2.04
       2.66    2.69
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.71    1.74
       2.36    2.39
   
       -584.04319365 
       -584.04171151 
       -584.04269961 
   
  
  
       1.81    1.83
       2.44    2.47
   
       -713.76973089 
       -713.78651605 
       -713.77532594 
   
  
  
       1.80    1.81
       2.42    2.44
   
     -46645.18717116 
     -46645.18902649 
     -46645.18778961 
   
  
  
       1.81    1.82
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       -914.78908200 
       -914.81320760 
       -914.79712387 
   
  
  
       2.11    2.14
       2.76    2.79
   
     -28521.18490292 
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       1.88    1.89
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      -1890.70170171 
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       1.88    1.89
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     -38816.50555780 
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       1.83    1.84
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    -414148.06461376 
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       1.92    1.94
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      -7080.76296491 
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       1.80    1.82
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    -207439.99344282 
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       1.98    1.99
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    -488809.33125947 
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    -488809.33061926 
   
  
  
       1.82    1.85
       2.46    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.03    2.06
       2.66    2.69
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.90
       2.50    2.53
   
    -803419.15973487 
    -803419.14657940 
    -803419.15534971 
   
  
  
       1.97    1.99
       2.61    2.63
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.83    1.84
       2.47    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.94    1.96
       2.57    2.60
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.17    2.19
       2.80    2.82
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.96    2.00
       2.60    2.63
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.95    1.97
       2.59    2.61
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.01    2.02
       2.65    2.66
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.96    1.97
       2.60    2.61
   
    -803418.86178032 
    -803418.84470528 
    -803418.85608864 
   
  
  
       2.00    2.01
       2.64    2.66
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.00    2.02
       2.64    2.66
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.01    2.03
       2.65    2.68
   
    -985211.96380322 
    -985211.95871526 
    -985211.96210724 
   
  
  
       1.99    2.02
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    -876056.34186315 
    -876056.33657151 
    -876056.34009927