vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  09:02:44 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06390225       0.13071026       0.60031326 
          0.18752762       0.12506608       0.40286062 
          0.06252762       0.12506608       0.33706657 
          0.19054713       0.13323126       0.66738994 
          0.06257548       0.00032148       0.53630767 
          0.18752762       0.00006608       0.46789323 
          0.06252762       0.00006608       0.27122376 
          0.12914441       0.00419041       0.70544720 
          0.06516919       0.37470946       0.60390085 
          0.18752762       0.37506608       0.40286062 
          0.06252762       0.37506608       0.33706657 
          0.19382450       0.36612233       0.66805335 
          0.06271306       0.25324406       0.53354100 
          0.18752762       0.25006608       0.46789323 
          0.06252762       0.25006608       0.27122376 
          0.22897745       0.24889959       0.73786962 
          0.06288396       0.62361126       0.60180214 
          0.18752762       0.62506608       0.40286062 
          0.06252762       0.62506608       0.33706657 
          0.19185469       0.62296164       0.66442139 
          0.06284760       0.49853600       0.53607881 
          0.18752762       0.50006608       0.46789323 
          0.06252762       0.50006608       0.27122376 
          0.25734300       0.49564862       0.70086812 
          0.06208652       0.86866161       0.59820591 
          0.18752762       0.87506608       0.40286062 
          0.06252762       0.87506608       0.33706657 
          0.18719056       0.87553094       0.66395180 
          0.06244609       0.74578567       0.53276171 
          0.18752762       0.75006608       0.46789323 
          0.06252762       0.75006608       0.27122376 
          0.25663591       0.75000754       0.70108592 
          0.31137086       0.11942044       0.59846347 
          0.43752762       0.12506608       0.40286062 
          0.31252762       0.12506608       0.33706657 
          0.43824216       0.12447310       0.66288501 
          0.31233027       0.00076697       0.52993400 
          0.43752762       0.00006608       0.46789323 
          0.31252762       0.00006608       0.27122376 
          0.49955582       0.99644723       0.70430574 
          0.31271484       0.37425794       0.59437764 
          0.43752762       0.37506608       0.40286062 
          0.31252762       0.37506608       0.33706657 
          0.43294174       0.38358414       0.66657024 
          0.31210306       0.24623392       0.53305583 
          0.43752762       0.25006608       0.46789323 
          0.31252762       0.25006608       0.27122376 
          0.37428890       0.25262499       0.70180205 
          0.31590908       0.62621769       0.59359514 
          0.43752762       0.62506608       0.40286062 
          0.31252762       0.62506608       0.33706657 
          0.43027053       0.62340813       0.66831382 
          0.31273507       0.50001734       0.53060342 
          0.43752762       0.50006608       0.46789323 
          0.31252762       0.50006608       0.27122376 
          0.40121702       0.50159719       0.73641399 
          0.31349695       0.88136544       0.59850484 
          0.43752762       0.87506608       0.40286062 
          0.31252762       0.87506608       0.33706657 
          0.43543691       0.86819429       0.66654821 
          0.31279278       0.75432117       0.53301112 
          0.43752762       0.75006608       0.46789323 
          0.31252762       0.75006608       0.27122376 
          0.40130935       0.74807234       0.73326351 
          0.56366374       0.13129031       0.59755272 
          0.68752762       0.12506608       0.40286062 
          0.56252762       0.12506608       0.33706657 
          0.68294713       0.11578398       0.66772792 
          0.56249425       0.00016355       0.53585455 
          0.68752762       0.00006608       0.46789323 
          0.56252762       0.00006608       0.27122376 
          0.64475771       0.00029264       0.73812258 
          0.56242188       0.37706818       0.60387768 
          0.68752762       0.37506608       0.40286062 
          0.56252762       0.37506608       0.33706657 
          0.69285463       0.38340983       0.66550006 
          0.56280675       0.25543099       0.53347313 
          0.68752762       0.25006608       0.46789323 
          0.56252762       0.25006608       0.27122376 
          0.73819907       0.24840015       0.70281851 
          0.56078696       0.62426018       0.60551073 
          0.68752762       0.62506608       0.40286062 
          0.56252762       0.62506608       0.33706657 
          0.69260263       0.61734520       0.66576587 
          0.56213803       0.50118718       0.53641021 
          0.68752762       0.50006608       0.46789323 
          0.56252762       0.50006608       0.27122376 
          0.72344823       0.50007964       0.73804839 
          0.56193052       0.86991914       0.59943217 
          0.68752762       0.87506608       0.40286062 
          0.56252762       0.87506608       0.33706657 
          0.68317939       0.88374474       0.66853320 
          0.56248418       0.74562909       0.53425402 
          0.68752762       0.75006608       0.46789323 
          0.56252762       0.75006608       0.27122376 
          0.73442181       0.75123629       0.70780245 
          0.81238958       0.11958383       0.60340195 
          0.93752762       0.12506608       0.40286062 
          0.81252762       0.12506608       0.33706657 
          0.94119998       0.11871106       0.66801245 
          0.81279538       0.00019650       0.53128791 
          0.93752762       0.00006608       0.46789323 
          0.81252762       0.00006608       0.27122376 
          0.98263711       0.99985179       0.73347428 
          0.81103530       0.37375659       0.59286639 
          0.93752762       0.37506608       0.40286062 
          0.81252762       0.37506608       0.33706657 
          0.93371402       0.37135494       0.66377256 
          0.81276900       0.24398404       0.53364937 
          0.93752762       0.25006608       0.46789323 
          0.81252762       0.25006608       0.27122376 
          0.88674530       0.24602670       0.71520348 
          0.81005362       0.62684983       0.59272879 
          0.93752762       0.62506608       0.40286062 
          0.81252762       0.62506608       0.33706657 
          0.93295606       0.62617050       0.66316292 
          0.81235995       0.50020357       0.53017473 
          0.93752762       0.50006608       0.46789323 
          0.81252762       0.50006608       0.27122376 
          0.86661408       0.49863783       0.69918600 
          0.81198507       0.88047313       0.60357043 
          0.93752762       0.87506608       0.40286062 
          0.81252762       0.87506608       0.33706657 
          0.94165296       0.88186295       0.66762373 
          0.81247242       0.75642011       0.53358084 
          0.93752762       0.75006608       0.46789323 
          0.81252762       0.75006608       0.27122376 
          0.88303846       0.75384146       0.70915634 
          0.75717506       0.75712575       0.91910930 
          0.79082215       0.66760555       0.91075835 
          0.66506523       0.76081571       0.89492779 
          0.81793943       0.81686458       0.88514448 
          0.75410979       0.78401292       0.98890219 
  
 
 
          1 
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        129 
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        132 
        133 
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       250.00000000
       400.00000000
         0.00001000
       38
       10
      328
       -1
       -1
       520.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        250.00000000
    
      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
   
  
  
       60
       60
       84
      120
      120
      168
    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      0.32000000
      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      1.00000000
         0.00000000      0.00000000
         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
        22.20738322
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         2 
  
   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
    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
    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
    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
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06390225       0.13071026       0.60031326 
          0.18752762       0.12506608       0.40286062 
          0.06252762       0.12506608       0.33706657 
          0.19054713       0.13323126       0.66738994 
          0.06257548       0.00032148       0.53630767 
          0.18752762       0.00006608       0.46789323 
          0.06252762       0.00006608       0.27122376 
          0.12914441       0.00419041       0.70544720 
          0.06516919       0.37470946       0.60390085 
          0.18752762       0.37506608       0.40286062 
          0.06252762       0.37506608       0.33706657 
          0.19382450       0.36612233       0.66805335 
          0.06271306       0.25324406       0.53354100 
          0.18752762       0.25006608       0.46789323 
          0.06252762       0.25006608       0.27122376 
          0.22897745       0.24889959       0.73786962 
          0.06288396       0.62361126       0.60180214 
          0.18752762       0.62506608       0.40286062 
          0.06252762       0.62506608       0.33706657 
          0.19185469       0.62296164       0.66442139 
          0.06284760       0.49853600       0.53607881 
          0.18752762       0.50006608       0.46789323 
          0.06252762       0.50006608       0.27122376 
          0.25734300       0.49564862       0.70086812 
          0.06208652       0.86866161       0.59820591 
          0.18752762       0.87506608       0.40286062 
          0.06252762       0.87506608       0.33706657 
          0.18719056       0.87553094       0.66395180 
          0.06244609       0.74578567       0.53276171 
          0.18752762       0.75006608       0.46789323 
          0.06252762       0.75006608       0.27122376 
          0.25663591       0.75000754       0.70108592 
          0.31137086       0.11942044       0.59846347 
          0.43752762       0.12506608       0.40286062 
          0.31252762       0.12506608       0.33706657 
          0.43824216       0.12447310       0.66288501 
          0.31233027       0.00076697       0.52993400 
          0.43752762       0.00006608       0.46789323 
          0.31252762       0.00006608       0.27122376 
          0.49955582       0.99644723       0.70430574 
          0.31271484       0.37425794       0.59437764 
          0.43752762       0.37506608       0.40286062 
          0.31252762       0.37506608       0.33706657 
          0.43294174       0.38358414       0.66657024 
          0.31210306       0.24623392       0.53305583 
          0.43752762       0.25006608       0.46789323 
          0.31252762       0.25006608       0.27122376 
          0.37428890       0.25262499       0.70180205 
          0.31590908       0.62621769       0.59359514 
          0.43752762       0.62506608       0.40286062 
          0.31252762       0.62506608       0.33706657 
          0.43027053       0.62340813       0.66831382 
          0.31273507       0.50001734       0.53060342 
          0.43752762       0.50006608       0.46789323 
          0.31252762       0.50006608       0.27122376 
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          0.31349695       0.88136544       0.59850484 
          0.43752762       0.87506608       0.40286062 
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          0.31279278       0.75432117       0.53301112 
          0.43752762       0.75006608       0.46789323 
          0.31252762       0.75006608       0.27122376 
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          0.56366374       0.13129031       0.59755272 
          0.68752762       0.12506608       0.40286062 
          0.56252762       0.12506608       0.33706657 
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          0.56249425       0.00016355       0.53585455 
          0.68752762       0.00006608       0.46789323 
          0.56252762       0.00006608       0.27122376 
          0.64475771       0.00029264       0.73812258 
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          0.68752762       0.37506608       0.40286062 
          0.56252762       0.37506608       0.33706657 
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          0.68752762       0.25006608       0.46789323 
          0.56252762       0.25006608       0.27122376 
          0.73819907       0.24840015       0.70281851 
          0.56078696       0.62426018       0.60551073 
          0.68752762       0.62506608       0.40286062 
          0.56252762       0.62506608       0.33706657 
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          0.56213803       0.50118718       0.53641021 
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          0.56193052       0.86991914       0.59943217 
          0.68752762       0.87506608       0.40286062 
          0.56252762       0.87506608       0.33706657 
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          0.56248418       0.74562909       0.53425402 
          0.68752762       0.75006608       0.46789323 
          0.56252762       0.75006608       0.27122376 
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          0.93752762       0.12506608       0.40286062 
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          0.93752762       0.37506608       0.40286062 
          0.81252762       0.37506608       0.33706657 
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          0.93752762       0.25006608       0.46789323 
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          0.93752762       0.62506608       0.40286062 
          0.81252762       0.62506608       0.33706657 
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          0.81235995       0.50020357       0.53017473 
          0.93752762       0.50006608       0.46789323 
          0.81252762       0.50006608       0.27122376 
          0.86661408       0.49863783       0.69918600 
          0.81198507       0.88047313       0.60357043 
          0.93752762       0.87506608       0.40286062 
          0.81252762       0.87506608       0.33706657 
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          0.81247242       0.75642011       0.53358084 
          0.93752762       0.75006608       0.46789323 
          0.81252762       0.75006608       0.27122376 
          0.88303846       0.75384146       0.70915634 
          0.75717506       0.75712575       0.91910930 
          0.79082215       0.66760555       0.91075835 
          0.66506523       0.76081571       0.89492779 
          0.81793943       0.81686458       0.88514448 
          0.75410979       0.78401292       0.98890219 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      16.21   32.85
      17.70   34.44
   
        115.70992877 
      25542.26485425 
     -38104.60582806 
      -1214.39699103 
      11376.50626006 
      -9107.00841578 
          0.01445870 
       -424.24340476 
      13344.57217335 
       1528.81303550 
       1528.79857680 
       1528.80821594 
   
  
  
       8.40   17.01
       8.41   17.03
   
       -495.41481490 
       -495.41940485 
       -495.41634488 
   
  
  
      19.51   34.97
      19.52   35.00
   
       -665.46832347 
       -665.34373097 
       -665.42679264 
   
  
  
      14.21   35.37
      14.22   35.38
   
       -674.33249222 
       -674.20765228 
       -674.29087891 
   
  
  
      10.25   26.05
      10.48   28.17
   
       -674.56142416 
       -674.43514488 
       -674.51933107 
   
  
  
      11.06   17.70
      16.61   26.02
   
       -660.96337348 
       -660.88250772 
       -660.93641822 
   
  
  
       9.79   26.82
      19.74   39.59
   
       -657.33526796 
       -657.45336189 
       -657.37463260 
   
  
  
      11.20   24.77
      12.32   29.79
   
       -657.44292209 
       -657.41729963 
       -657.43438127 
   
  
  
      10.66   22.14
      14.69   34.38
   
       -657.15292987 
       -657.20483490 
       -657.17023154 
   
  
  
       9.54   15.26
      11.25   18.15
   
       -657.09871457 
       -657.14783699 
       -657.11508871 
   
  
  
      20.79   36.77
      23.52   43.10
   
       -657.07693105 
       -657.06904928 
       -657.07430379 
   
  
  
       8.94   23.22
      12.06   27.18
   
       -657.07822087 
       -657.09908453 
       -657.08517542 
   
  
  
      13.92   21.59
      17.03   27.14
   
       -657.07382421 
       -657.09371725 
       -657.08045523 
   
  
  
      11.02   20.46
      16.42   36.11
   
       -657.07223778 
       -657.08150781 
       -657.07532779