vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2022 02 21 
  21:54:18 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          30.67000000       0.00000000       0.00000000 
           0.00000000      30.67000000       0.00000000 
           0.00000000       0.00000000      32.78000000 
   
     30834.47094200 
   
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          0.45952149       0.75316398       0.39136890 
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          0.53984177       0.75283260       0.60854983 
          0.75455440       0.54033875       0.39139129 
          0.75445371       0.45989198       0.60853678 
          0.24634276       0.54035987       0.60851094 
          0.24719401       0.46008964       0.39133057 
          0.58083081       0.74923823       0.67201059 
          0.58082751       0.25028970       0.32800542 
          0.41853032       0.74971011       0.32791276 
          0.41887119       0.25004268       0.67213027 
          0.25087958       0.41905900       0.32788480 
          0.24992824       0.58126097       0.67199189 
          0.75029798       0.41899956       0.67200672 
          0.75074053       0.58140116       0.32792123 
          0.41881089       0.24971609       0.32799568 
          0.41874095       0.74963939       0.67208784 
          0.58089024       0.25062381       0.67204942 
          0.58077315       0.74855191       0.32796569 
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          0.74937203       0.41930921       0.32781520 
          0.25047186       0.58136254       0.32788014 
          0.25047896       0.41919466       0.67196994 
          0.57848313       0.74171844       0.54346970 
          0.57858188       0.25740670       0.45654778 
          0.42066793       0.74295553       0.45649432 
          0.42098534       0.25666303       0.54357226 
          0.25791689       0.42139478       0.45645839 
          0.25704098       0.57917325       0.54343795 
          0.74333070       0.42128879       0.54341972 
          0.74393489       0.57898753       0.45654986 
          0.42096187       0.25655909       0.45657790 
          0.42071587       0.74295020       0.54350581 
          0.57860369       0.25750027       0.54353770 
          0.57849281       0.74161985       0.45648177 
          0.74386502       0.57889289       0.54354624 
          0.74309552       0.42138928       0.45641015 
          0.25714535       0.57920087       0.45643450 
          0.25778009       0.42140833       0.54343803 
          0.57869980       0.74222487       0.41275397 
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          0.25706540       0.42121620       0.58716234 
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          0.74353787       0.42124607       0.41267575 
          0.74433991       0.57902030       0.58727354 
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          0.57877947       0.25672326       0.41282456 
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          0.74449337       0.57922730       0.41283498 
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          0.61735113       0.26913418       0.34650989 
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          0.38228746       0.26873642       0.65359514 
          0.26932917       0.38238847       0.34649693 
          0.26853085       0.61791482       0.65349135 
          0.73136670       0.38253237       0.65346362 
          0.73204836       0.61792846       0.34659626 
          0.38222240       0.26840952       0.34655206 
          0.38203096       0.73119151       0.65356282 
          0.61745434       0.26937355       0.65354372 
          0.61750926       0.73018795       0.34649675 
          0.73136620       0.61740966       0.65359628 
          0.73072965       0.38274468       0.34640702 
          0.26855034       0.61820573       0.34646506 
          0.26917227       0.38257468       0.65349704 
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          0.38357164       0.72786751       0.47821402 
          0.38405761       0.27217732       0.52186964 
          0.27320287       0.38438645       0.47817571 
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          0.72742732       0.38452536       0.52172724 
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          0.47553277       0.53178948       0.93276639 
  
 
 
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          1        1        1 
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         1.00000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      601
       -1
       -1
       961.00000000
        0
        0
        0
        0
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         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
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          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
      150
      150
      160
      300
      300
      320
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
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        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      301
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       -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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000      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
        76.76631770
         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  
  
 
 
       241 
         2 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     240C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.67000000       0.00000000       0.00000000 
           0.00000000      30.67000000       0.00000000 
           0.00000000       0.00000000      32.78000000 
   
     30834.47094200 
   
           0.03260515       0.00000000       0.00000000 
           0.00000000       0.03260515       0.00000000 
           0.00000000       0.00000000       0.03050641 
   
  
  
          0.23799096       0.50015897       0.32788273 
          0.23708057       0.50018897       0.67194280 
          0.76372629       0.49992705       0.67209451 
          0.76307298       0.50028547       0.32786237 
          0.49982434       0.76249288       0.67201209 
          0.49985116       0.23677831       0.32800231 
          0.49972881       0.76182965       0.32789830 
          0.49991735       0.23711518       0.67219047 
          0.24516492       0.50024325       0.45641230 
          0.24496776       0.50023924       0.54339294 
          0.75651057       0.50005038       0.54346083 
          0.75640278       0.50012142       0.45645508 
          0.49968971       0.75476312       0.54345308 
          0.49983742       0.24416043       0.45658234 
          0.49967172       0.75461915       0.45647078 
          0.49985571       0.24424870       0.54355890 
          0.24416903       0.50022595       0.58710404 
          0.24457943       0.50022599       0.41269239 
          0.75690794       0.50016825       0.41273267 
          0.75714230       0.50001747       0.58717111 
          0.49968058       0.75521774       0.41275196 
          0.49987698       0.24367814       0.58726813 
          0.49972223       0.75549938       0.58716846 
          0.49983959       0.24349983       0.41287150 
          0.54035502       0.75598737       0.65339665 
          0.54039245       0.24330710       0.34660639 
          0.45910517       0.75599808       0.34650070 
          0.45934212       0.24326061       0.65353617 
          0.24425402       0.45959330       0.34646242 
          0.24328924       0.54078399       0.65336387 
          0.75730717       0.45941810       0.65338340 
          0.75725419       0.54086106       0.34653327 
          0.45927248       0.24296422       0.34662735 
          0.45920819       0.75630249       0.65345941 
          0.54043813       0.24363822       0.65352053 
          0.54027855       0.75536378       0.34649029 
          0.75733631       0.54050002       0.65349604 
          0.75653088       0.45971867       0.34638587 
          0.24402443       0.54079557       0.34640768 
          0.24365741       0.45964813       0.65335685 
          0.53957797       0.75120083       0.52176247 
          0.53973579       0.24769942       0.47826190 
          0.45971315       0.75191308       0.47817428 
          0.45991156       0.24722997       0.52187476 
          0.24847515       0.46033199       0.47811950 
          0.24797858       0.54018220       0.52171148 
          0.75305206       0.46015777       0.52173582 
          0.75338682       0.54004037       0.47819987 
          0.45990081       0.24718214       0.47827815 
          0.45972380       0.75195557       0.52177744 
          0.53974635       0.24774546       0.52185910 
          0.53957203       0.75112652       0.47816071 
          0.75339114       0.54000455       0.52180532 
          0.75294933       0.46020030       0.47812508 
          0.24806690       0.54018547       0.47810963 
          0.24838299       0.46032991       0.52171820 
          0.53980242       0.75245336       0.39136832 
          0.53998068       0.24648752       0.60865538 
          0.45959496       0.75337805       0.60859102 
          0.45970773       0.24584259       0.39147809 
          0.24676173       0.46011323       0.60850401 
          0.24682822       0.54037683       0.39129565 
          0.75395991       0.46009843       0.39128650 
          0.75461077       0.54011788       0.60862273 
          0.45975388       0.24605318       0.60867377 
          0.45952149       0.75316398       0.39136890 
          0.53994379       0.24623446       0.39146422 
          0.53984177       0.75283260       0.60854983 
          0.75455440       0.54033875       0.39139129 
          0.75445371       0.45989198       0.60853678 
          0.24634276       0.54035987       0.60851094 
          0.24719401       0.46008964       0.39133057 
          0.58083081       0.74923823       0.67201059 
          0.58082751       0.25028970       0.32800542 
          0.41853032       0.74971011       0.32791276 
          0.41887119       0.25004268       0.67213027 
          0.25087958       0.41905900       0.32788480 
          0.24992824       0.58126097       0.67199189 
          0.75029798       0.41899956       0.67200672 
          0.75074053       0.58140116       0.32792123 
          0.41881089       0.24971609       0.32799568 
          0.41874095       0.74963939       0.67208784 
          0.58089024       0.25062381       0.67204942 
          0.58077315       0.74855191       0.32796569 
          0.75020566       0.58088840       0.67210582 
          0.74937203       0.41930921       0.32781520 
          0.25047186       0.58136254       0.32788014 
          0.25047896       0.41919466       0.67196994 
          0.57848313       0.74171844       0.54346970 
          0.57858188       0.25740670       0.45654778 
          0.42066793       0.74295553       0.45649432 
          0.42098534       0.25666303       0.54357226 
          0.25791689       0.42139478       0.45645839 
          0.25704098       0.57917325       0.54343795 
          0.74333070       0.42128879       0.54341972 
          0.74393489       0.57898753       0.45654986 
          0.42096187       0.25655909       0.45657790 
          0.42071587       0.74295020       0.54350581 
          0.57860369       0.25750027       0.54353770 
          0.57849281       0.74161985       0.45648177 
          0.74386502       0.57889289       0.54354624 
          0.74309552       0.42138928       0.45641015 
          0.25714535       0.57920087       0.45643450 
          0.25778009       0.42140833       0.54343803 
          0.57869980       0.74222487       0.41275397 
          0.57882007       0.25691134       0.58726332 
          0.42058671       0.74351857       0.58723447 
          0.42077947       0.25594651       0.41285549 
          0.25706540       0.42121620       0.58716234 
          0.25658359       0.57938584       0.41270337 
          0.74353787       0.42124607       0.41267575 
          0.74433991       0.57902030       0.58727354 
          0.42082387       0.25614646       0.58729552 
          0.42048546       0.74353382       0.41276594 
          0.57877947       0.25672326       0.41282456 
          0.57870127       0.74244611       0.58719036 
          0.74449337       0.57922730       0.41283498 
          0.74399573       0.42106747       0.58714599 
          0.25637322       0.57932538       0.58716068 
          0.25733078       0.42118274       0.41273995 
          0.61740544       0.73046086       0.65350647 
          0.61735113       0.26913418       0.34650989 
          0.38170146       0.73157253       0.34648710 
          0.38228746       0.26873642       0.65359514 
          0.26932917       0.38238847       0.34649693 
          0.26853085       0.61791482       0.65349135 
          0.73136670       0.38253237       0.65346362 
          0.73204836       0.61792846       0.34659626 
          0.38222240       0.26840952       0.34655206 
          0.38203096       0.73119151       0.65356282 
          0.61745434       0.26937355       0.65354372 
          0.61750926       0.73018795       0.34649675 
          0.73136620       0.61740966       0.65359628 
          0.73072965       0.38274468       0.34640702 
          0.26855034       0.61820573       0.34646506 
          0.26917227       0.38257468       0.65349704 
          0.61546162       0.72628652       0.52180942 
          0.61543373       0.27313557       0.47821335 
          0.38357164       0.72786751       0.47821402 
          0.38405761       0.27217732       0.52186964 
          0.27320287       0.38438645       0.47817571 
          0.27219709       0.61627037       0.52177992 
          0.72742732       0.38452536       0.52172724 
          0.72820652       0.61580966       0.47827239 
          0.38404629       0.27213003       0.47825735 
          0.38361204       0.72782313       0.52182873 
          0.61544844       0.27317091       0.52182319 
          0.61548077       0.72627607       0.47820200 
          0.72813785       0.61575202       0.52187959 
          0.72731694       0.38456783       0.47811108 
          0.27220541       0.61630040       0.47816731 
          0.27316635       0.38440486       0.52178502 
          0.61615836       0.72755191       0.39138141 
          0.61611520       0.27195301       0.60865644 
          0.38319176       0.72880587       0.60867236 
          0.38347477       0.27091031       0.39142887 
          0.27182521       0.38384411       0.60861201 
          0.27107729       0.61690741       0.39133523 
          0.72827456       0.38404128       0.39128602 
          0.72904057       0.61619588       0.60870639 
          0.38353007       0.27115692       0.60870905 
          0.38297126       0.72905707       0.39136743 
          0.61603590       0.27178609       0.39138755 
          0.61607209       0.72768352       0.60863215 
          0.72942233       0.61651253       0.39144861 
          0.72876631       0.38386371       0.60857790 
          0.27106643       0.61671265       0.60861067 
          0.27198610       0.38373220       0.39136134 
          0.65378608       0.71147652       0.67207483 
          0.65363630       0.28829541       0.32792081 
          0.34510835       0.71291939       0.32791225 
          0.34602825       0.28794239       0.67219907 
          0.28812007       0.34588666       0.32792235 
          0.28749357       0.65428104       0.67212821 
          0.71207212       0.34630435       0.67199565 
          0.71293134       0.65425764       0.32802012 
          0.34593789       0.28757081       0.32796283 
          0.34562955       0.71225040       0.67216533 
          0.65377859       0.28850026       0.67210521 
          0.65414349       0.71157276       0.32798416 
          0.71205589       0.65361128       0.67220088 
          0.71160479       0.34642883       0.32781477 
          0.28711464       0.65485016       0.32786279 
          0.28819783       0.34621635       0.67207899 
          0.64966372       0.70549813       0.54354588 
          0.64943079       0.29424918       0.45648453 
          0.34931912       0.70711266       0.45651728 
          0.35005123       0.29334770       0.54356609 
          0.29397180       0.35013203       0.45650200 
          0.29298674       0.65047735       0.54351913 
          0.70611941       0.35063179       0.54345468 
          0.70684692       0.64969271       0.45657614 
          0.35003486       0.29325844       0.45653686 
          0.34941725       0.70697896       0.54355141 
          0.64948109       0.29429573       0.54350042 
          0.64975266       0.70553815       0.45653718 
          0.70670212       0.64957778       0.54358514 
          0.70597431       0.35066798       0.45643097 
          0.29292745       0.65058914       0.45649741 
          0.29395079       0.35020162       0.54352074 
          0.65017807       0.70612329       0.41280437 
          0.64987875       0.29377916       0.58723409 
          0.34916046       0.70735339       0.58728696 
          0.34967386       0.29273730       0.41280341 
          0.29342953       0.34988267       0.58725900 
          0.29244687       0.65095062       0.41276980 
          0.70640653       0.35030748       0.41269826 
          0.70709684       0.64989720       0.58732027 
          0.34971947       0.29292870       0.58729831 
          0.34895673       0.70762405       0.41278412 
          0.64978757       0.29369112       0.41274965 
          0.65000465       0.70604623       0.58727940 
          0.70740342       0.65013631       0.41285234 
          0.70668785       0.35023770       0.58719464 
          0.29257335       0.65072927       0.58725406 
          0.29346057       0.34974559       0.41277036 
          0.68308920       0.68267391       0.65358493 
          0.68274258       0.31727018       0.34645047 
          0.31590442       0.68407628       0.34652296 
          0.31696376       0.31690969       0.65355710 
          0.31686097       0.31657101       0.34651159 
          0.31632813       0.68351881       0.65357076 
          0.68298124       0.31731030       0.65346900 
          0.68362829       0.68305207       0.34658265 
          0.68032607       0.67971468       0.52187483 
          0.67982913       0.32035279       0.47816015 
          0.31887670       0.68108136       0.47822184 
          0.31980013       0.31958093       0.52184781 
          0.31979364       0.31953780       0.47822676 
          0.31893294       0.68100865       0.52183734 
          0.67987151       0.32035708       0.52178192 
          0.68039189       0.67975909       0.47826185 
          0.68149770       0.68088166       0.39144639 
          0.68090732       0.31938169       0.60859366 
          0.31819529       0.68169477       0.60868095 
          0.31885829       0.31855607       0.39139069 
          0.31890793       0.31879474       0.60867301 
          0.31794729       0.68203851       0.39138119 
          0.68071820       0.31935392       0.39133058 
          0.68115580       0.68064443       0.60869592 
          0.47553277       0.53178948       0.93276639