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 
   
  
  
          0.06395129       0.13075809       0.60090577 
          0.18754833       0.12511565       0.40327001 
          0.06254833       0.12511565       0.33747596 
          0.19053429       0.13341263       0.66800471 
          0.06253669       0.00050932       0.53681077 
          0.18754833       0.00011565       0.46830262 
          0.06254833       0.00011565       0.27163315 
          0.13160690       0.00394536       0.70734280 
          0.06481638       0.37463700       0.60457154 
          0.18754833       0.37511565       0.40327001 
          0.06254833       0.37511565       0.33747596 
          0.19377888       0.36618793       0.66842648 
          0.06279222       0.25332966       0.53403109 
          0.18754833       0.25011565       0.46830262 
          0.06254833       0.25011565       0.27163315 
          0.22909691       0.24909350       0.73820295 
          0.06277469       0.62372648       0.60232285 
          0.18754833       0.62511565       0.40327001 
          0.06254833       0.62511565       0.33747596 
          0.19181268       0.62308241       0.66483561 
          0.06278617       0.49848889       0.53666796 
          0.18754833       0.50011565       0.46830262 
          0.06254833       0.50011565       0.27163315 
          0.25724148       0.49574041       0.70117783 
          0.06223171       0.86872331       0.59861865 
          0.18754833       0.87511565       0.40327001 
          0.06254833       0.87511565       0.33747596 
          0.18708287       0.87530496       0.66459187 
          0.06253075       0.74574588       0.53318963 
          0.18754833       0.75011565       0.46830262 
          0.06254833       0.75011565       0.27163315 
          0.25679366       0.74996489       0.70146033 
          0.31147245       0.11953794       0.59906426 
          0.43754833       0.12511565       0.40327001 
          0.31254833       0.12511565       0.33747596 
          0.43845355       0.12478198       0.66338509 
          0.31233796       0.00085695       0.53044876 
          0.43754833       0.00011565       0.46830262 
          0.31254833       0.00011565       0.27163315 
          0.49962997       0.99660355       0.70454963 
          0.31285562       0.37439929       0.59485976 
          0.43754833       0.37511565       0.40327001 
          0.31254833       0.37511565       0.33747596 
          0.43320377       0.38365655       0.66699620 
          0.31208828       0.24630844       0.53353819 
          0.43754833       0.25011565       0.46830262 
          0.31254833       0.25011565       0.27163315 
          0.37437245       0.25286140       0.70230533 
          0.31599890       0.62633216       0.59408787 
          0.43754833       0.62511565       0.40327001 
          0.31254833       0.62511565       0.33747596 
          0.43043982       0.62362079       0.66874896 
          0.31278023       0.50016174       0.53103542 
          0.43754833       0.50011565       0.46830262 
          0.31254833       0.50011565       0.27163315 
          0.40115982       0.50172941       0.73661545 
          0.31351397       0.88147318       0.59911981 
          0.43754833       0.87511565       0.40327001 
          0.31254833       0.87511565       0.33747596 
          0.43548315       0.86816750       0.66716091 
          0.31280644       0.75446881       0.53350655 
          0.43754833       0.75011565       0.46830262 
          0.31254833       0.75011565       0.27163315 
          0.40137731       0.74807792       0.73391698 
          0.56388731       0.13156893       0.59808415 
          0.68754833       0.12511565       0.40327001 
          0.56254833       0.12511565       0.33747596 
          0.68348090       0.11663612       0.66803602 
          0.56258991       0.00025910       0.53644149 
          0.68754833       0.00011565       0.46830262 
          0.56254833       0.00011565       0.27163315 
          0.64500187       0.00022903       0.73738953 
          0.56277542       0.37713999       0.60442642 
          0.68754833       0.37511565       0.40327001 
          0.56254833       0.37511565       0.33747596 
          0.69307539       0.38327009       0.66617643 
          0.56282808       0.25561333       0.53389845 
          0.68754833       0.25011565       0.46830262 
          0.56254833       0.25011565       0.27163315 
          0.74063006       0.24872824       0.70293045 
          0.56109775       0.62450790       0.60610770 
          0.68754833       0.62511565       0.40327001 
          0.56254833       0.62511565       0.33747596 
          0.69291617       0.61789037       0.66651113 
          0.56223432       0.50133594       0.53695295 
          0.68754833       0.50011565       0.46830262 
          0.56254833       0.50011565       0.27163315 
          0.72409543       0.50023526       0.73805983 
          0.56206334       0.86988572       0.60006368 
          0.68754833       0.87511565       0.40327001 
          0.56254833       0.87511565       0.33747596 
          0.68379207       0.88257492       0.66904434 
          0.56249481       0.74573665       0.53468585 
          0.68754833       0.75011565       0.46830262 
          0.56254833       0.75011565       0.27163315 
          0.73451746       0.75080638       0.71043778 
          0.81231197       0.11958798       0.60316669 
          0.93754833       0.12511565       0.40327001 
          0.81254833       0.12511565       0.33747596 
          0.94020042       0.12179237       0.66803814 
          0.81277316       0.00047245       0.53164921 
          0.93754833       0.00011565       0.46830262 
          0.81254833       0.00011565       0.27163315 
          0.98425719       0.00015440       0.72913247 
          0.81147615       0.37406021       0.59361727 
          0.93754833       0.37511565       0.40327001 
          0.81254833       0.37511565       0.33747596 
          0.93357769       0.37046932       0.66492122 
          0.81288079       0.24445945       0.53414404 
          0.93754833       0.25011565       0.46830262 
          0.81254833       0.25011565       0.27163315 
          0.88878505       0.24713549       0.72073994 
          0.81024068       0.62717360       0.59338873 
          0.93754833       0.62511565       0.40327001 
          0.81254833       0.62511565       0.33747596 
          0.93295160       0.62629294       0.66391312 
          0.81237456       0.50038551       0.53072187 
          0.93754833       0.50011565       0.46830262 
          0.81254833       0.50011565       0.27163315 
          0.86759879       0.49833808       0.69987798 
          0.81173036       0.88067609       0.60337498 
          0.93754833       0.87511565       0.40327001 
          0.81254833       0.87511565       0.33747596 
          0.94091364       0.87975617       0.66747955 
          0.81245697       0.75641139       0.53397938 
          0.93754833       0.75011565       0.46830262 
          0.81254833       0.75011565       0.27163315 
          0.88297279       0.75287540       0.71145425 
          0.75287440       0.75481380       0.90568027 
          0.78137915       0.66392327       0.90340365 
          0.66169581       0.75966580       0.88297925 
          0.82229843       0.80389265       0.86889457 
          0.75183395       0.79449525       0.97159700 
  
 
 
          1 
          2 
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          8 
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        125 
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        127 
        128 
        129 
        130 
        131 
        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 
   
  
  
          0.06395129       0.13075809       0.60090577 
          0.18754833       0.12511565       0.40327001 
          0.06254833       0.12511565       0.33747596 
          0.19053429       0.13341263       0.66800471 
          0.06253669       0.00050932       0.53681077 
          0.18754833       0.00011565       0.46830262 
          0.06254833       0.00011565       0.27163315 
          0.13160690       0.00394536       0.70734280 
          0.06481638       0.37463700       0.60457154 
          0.18754833       0.37511565       0.40327001 
          0.06254833       0.37511565       0.33747596 
          0.19377888       0.36618793       0.66842648 
          0.06279222       0.25332966       0.53403109 
          0.18754833       0.25011565       0.46830262 
          0.06254833       0.25011565       0.27163315 
          0.22909691       0.24909350       0.73820295 
          0.06277469       0.62372648       0.60232285 
          0.18754833       0.62511565       0.40327001 
          0.06254833       0.62511565       0.33747596 
          0.19181268       0.62308241       0.66483561 
          0.06278617       0.49848889       0.53666796 
          0.18754833       0.50011565       0.46830262 
          0.06254833       0.50011565       0.27163315 
          0.25724148       0.49574041       0.70117783 
          0.06223171       0.86872331       0.59861865 
          0.18754833       0.87511565       0.40327001 
          0.06254833       0.87511565       0.33747596 
          0.18708287       0.87530496       0.66459187 
          0.06253075       0.74574588       0.53318963 
          0.18754833       0.75011565       0.46830262 
          0.06254833       0.75011565       0.27163315 
          0.25679366       0.74996489       0.70146033 
          0.31147245       0.11953794       0.59906426 
          0.43754833       0.12511565       0.40327001 
          0.31254833       0.12511565       0.33747596 
          0.43845355       0.12478198       0.66338509 
          0.31233796       0.00085695       0.53044876 
          0.43754833       0.00011565       0.46830262 
          0.31254833       0.00011565       0.27163315 
          0.49962997       0.99660355       0.70454963 
          0.31285562       0.37439929       0.59485976 
          0.43754833       0.37511565       0.40327001 
          0.31254833       0.37511565       0.33747596 
          0.43320377       0.38365655       0.66699620 
          0.31208828       0.24630844       0.53353819 
          0.43754833       0.25011565       0.46830262 
          0.31254833       0.25011565       0.27163315 
          0.37437245       0.25286140       0.70230533 
          0.31599890       0.62633216       0.59408787 
          0.43754833       0.62511565       0.40327001 
          0.31254833       0.62511565       0.33747596 
          0.43043982       0.62362079       0.66874896 
          0.31278023       0.50016174       0.53103542 
          0.43754833       0.50011565       0.46830262 
          0.31254833       0.50011565       0.27163315 
          0.40115982       0.50172941       0.73661545 
          0.31351397       0.88147318       0.59911981 
          0.43754833       0.87511565       0.40327001 
          0.31254833       0.87511565       0.33747596 
          0.43548315       0.86816750       0.66716091 
          0.31280644       0.75446881       0.53350655 
          0.43754833       0.75011565       0.46830262 
          0.31254833       0.75011565       0.27163315 
          0.40137731       0.74807792       0.73391698 
          0.56388731       0.13156893       0.59808415 
          0.68754833       0.12511565       0.40327001 
          0.56254833       0.12511565       0.33747596 
          0.68348090       0.11663612       0.66803602 
          0.56258991       0.00025910       0.53644149 
          0.68754833       0.00011565       0.46830262 
          0.56254833       0.00011565       0.27163315 
          0.64500187       0.00022903       0.73738953 
          0.56277542       0.37713999       0.60442642 
          0.68754833       0.37511565       0.40327001 
          0.56254833       0.37511565       0.33747596 
          0.69307539       0.38327009       0.66617643 
          0.56282808       0.25561333       0.53389845 
          0.68754833       0.25011565       0.46830262 
          0.56254833       0.25011565       0.27163315 
          0.74063006       0.24872824       0.70293045 
          0.56109775       0.62450790       0.60610770 
          0.68754833       0.62511565       0.40327001 
          0.56254833       0.62511565       0.33747596 
          0.69291617       0.61789037       0.66651113 
          0.56223432       0.50133594       0.53695295 
          0.68754833       0.50011565       0.46830262 
          0.56254833       0.50011565       0.27163315 
          0.72409543       0.50023526       0.73805983 
          0.56206334       0.86988572       0.60006368 
          0.68754833       0.87511565       0.40327001 
          0.56254833       0.87511565       0.33747596 
          0.68379207       0.88257492       0.66904434 
          0.56249481       0.74573665       0.53468585 
          0.68754833       0.75011565       0.46830262 
          0.56254833       0.75011565       0.27163315 
          0.73451746       0.75080638       0.71043778 
          0.81231197       0.11958798       0.60316669 
          0.93754833       0.12511565       0.40327001 
          0.81254833       0.12511565       0.33747596 
          0.94020042       0.12179237       0.66803814 
          0.81277316       0.00047245       0.53164921 
          0.93754833       0.00011565       0.46830262 
          0.81254833       0.00011565       0.27163315 
          0.98425719       0.00015440       0.72913247 
          0.81147615       0.37406021       0.59361727 
          0.93754833       0.37511565       0.40327001 
          0.81254833       0.37511565       0.33747596 
          0.93357769       0.37046932       0.66492122 
          0.81288079       0.24445945       0.53414404 
          0.93754833       0.25011565       0.46830262 
          0.81254833       0.25011565       0.27163315 
          0.88878505       0.24713549       0.72073994 
          0.81024068       0.62717360       0.59338873 
          0.93754833       0.62511565       0.40327001 
          0.81254833       0.62511565       0.33747596 
          0.93295160       0.62629294       0.66391312 
          0.81237456       0.50038551       0.53072187 
          0.93754833       0.50011565       0.46830262 
          0.81254833       0.50011565       0.27163315 
          0.86759879       0.49833808       0.69987798 
          0.81173036       0.88067609       0.60337498 
          0.93754833       0.87511565       0.40327001 
          0.81254833       0.87511565       0.33747596 
          0.94091364       0.87975617       0.66747955 
          0.81245697       0.75641139       0.53397938 
          0.93754833       0.75011565       0.46830262 
          0.81254833       0.75011565       0.27163315 
          0.88297279       0.75287540       0.71145425 
          0.75287440       0.75481380       0.90568027 
          0.78137915       0.66392327       0.90340365 
          0.66169581       0.75966580       0.88297925 
          0.82229843       0.80389265       0.86889457 
          0.75183395       0.79449525       0.97159700 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       5.57   11.54
       6.87   14.30
   
        115.70992877 
      25584.93035992 
     -38147.23975287 
      -1214.38753770 
      11376.50626006 
      -9107.00841578 
          0.00978809 
       -423.90326377 
      13344.57217335 
       1529.18954007 
       1529.17975198 
       1529.18627737 
   
  
  
      14.09   30.62
      14.10   30.63
   
       -495.83621116 
       -495.84908530 
       -495.84050254 
   
  
  
      17.50   36.27
      17.51   36.28
   
       -665.86970668 
       -665.74148900 
       -665.82696745 
   
  
  
      11.24   32.40
      11.26   32.45
   
       -674.22407197 
       -674.07420791 
       -674.17411729 
   
  
  
       8.58   24.67
       8.86   25.76
   
       -674.44712778 
       -674.29538815 
       -674.39654790 
   
  
  
       7.47   17.11
      10.03   24.40
   
       -660.87573579 
       -660.78047146 
       -660.84398101 
   
  
  
      16.18   40.17
      18.48   44.84
   
       -657.20586060 
       -657.30864549 
       -657.24012223 
   
  
  
       8.78   21.26
      10.93   28.03
   
       -657.29384449 
       -657.24567632 
       -657.27778843 
   
  
  
      11.36   35.66
      14.98   45.57
   
       -657.05823601 
       -657.09023816 
       -657.06890339 
   
  
  
       9.86   17.38
      11.59   20.81
   
       -657.00110803 
       -657.03001628 
       -657.01074411 
   
  
  
      20.46   35.47
      22.34   39.88
   
       -656.98325494 
       -656.95371020 
       -656.97340669 
   
  
  
       9.07   22.84
      10.29   25.25
   
       -656.98452572 
       -656.98987400 
       -656.98630848 
   
  
  
      16.96   25.36
      19.64   32.40
   
       -656.98033529 
       -656.97990301 
       -656.98019120 
   
  
  
      13.61   23.90
      20.07   37.94
   
       -656.97863438 
       -656.96823797 
       -656.97516891