mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-28 16:12:26 +02:00
50555 lines
1.4 MiB
50555 lines
1.4 MiB
data = {
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},
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},
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},
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'9, 6' : 0.15289175E+00,
|
|
'9, 9' : 0.54028493E+00,
|
|
'10, 7' : 0.15289175E+00,
|
|
'10, 10' : 0.54028493E+00,
|
|
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|
|
'11, 8' : 0.14534679E+00,
|
|
'11, 11' : 0.14965000E+00,
|
|
'12, 6' : 0.19851844E-01,
|
|
'12, 9' : 0.14534679E+00,
|
|
'12, 12' : 0.14965000E+00,
|
|
'13, 7' : 0.19851844E-01,
|
|
'13, 10' : 0.14534679E+00,
|
|
'13, 13' : 0.14965000E+00,
|
|
'14, 1' : -0.28329677E-01,
|
|
'14, 2' : -0.13346485E+00,
|
|
'14, 3' : 0.11672312E+00,
|
|
'14, 4' : 0.78158052E-01,
|
|
'14, 14' : 0.40950000E+00,
|
|
'15, 1' : -0.28329677E-01,
|
|
'15, 2' : -0.13346485E+00,
|
|
'15, 3' : 0.11672312E+00,
|
|
'15, 4' : 0.78158052E-01,
|
|
'15, 14' : -0.31500000E-01,
|
|
'15, 15' : 0.40950000E+00,
|
|
'16, 1' : -0.28329677E-01,
|
|
'16, 2' : -0.13346485E+00,
|
|
'16, 3' : 0.11672312E+00,
|
|
'16, 4' : 0.78158052E-01,
|
|
'16, 14' : -0.31500000E-01,
|
|
'16, 15' : -0.31500000E-01,
|
|
'16, 16' : 0.40950000E+00,
|
|
'17, 17' : 0.66150000E+00,
|
|
'18, 18' : 0.66150000E+00,
|
|
'19, 19' : 0.66150000E+00,
|
|
'20, 1' : -0.40552935E-02,
|
|
'20, 2' : -0.29487651E-01,
|
|
'20, 3' : 0.32421623E-01,
|
|
'20, 4' : 0.32321571E-01,
|
|
'20, 6' : -0.14408476E-01,
|
|
'20, 7' : 0.87211403E-02,
|
|
'20, 9' : 0.11602625E+00,
|
|
'20, 10' : -0.70228188E-01,
|
|
'20, 12' : 0.69835747E-01,
|
|
'20, 13' : -0.42270074E-01,
|
|
'20, 14' : -0.47483903E-01,
|
|
'20, 15' : 0.17024439E+00,
|
|
'20, 16' : 0.32283475E-01,
|
|
'20, 19' : -0.22826048E+00,
|
|
'20, 20' : 0.96945723E+00,
|
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'21, 1' : 0.14844453E-02,
|
|
'21, 2' : 0.13422235E-01,
|
|
'21, 3' : 0.63246263E-01,
|
|
'21, 4' : 0.58986087E-01,
|
|
'21, 6' : 0.16053329E-01,
|
|
'21, 7' : -0.97167345E-02,
|
|
'21, 9' : 0.11129189E+00,
|
|
'21, 10' : -0.67362583E-01,
|
|
'21, 12' : 0.91762756E-01,
|
|
'21, 13' : -0.55542020E-01,
|
|
'21, 14' : 0.86174229E-02,
|
|
'21, 15' : 0.10083055E+00,
|
|
'21, 16' : 0.42400809E-01,
|
|
'21, 19' : -0.96673755E-01,
|
|
'21, 20' : 0.20123413E+00,
|
|
'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.12199968E-01,
|
|
'22, 8' : 0.44005908E-01,
|
|
'22, 11' : 0.27040265E-01,
|
|
'22, 17' : 0.16798195E+00,
|
|
'22, 18' : -0.10167586E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 1' : 0.66255883E-02,
|
|
'23, 2' : 0.52881168E-01,
|
|
'23, 3' : -0.82680468E-01,
|
|
'23, 4' : -0.19700373E-01,
|
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'23, 6' : 0.26000567E-01,
|
|
'23, 7' : -0.23121962E-01,
|
|
'23, 9' : -0.15384399E+00,
|
|
'23, 10' : 0.11975428E+00,
|
|
'23, 12' : -0.33213500E-02,
|
|
'23, 13' : 0.18377232E-01,
|
|
'23, 14' : 0.32552305E-01,
|
|
'23, 15' : -0.62952685E-01,
|
|
'23, 16' : -0.73499917E-01,
|
|
'23, 19' : 0.20180072E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.40103259E-02,
|
|
'24, 2' : -0.32007832E-01,
|
|
'24, 3' : 0.50044707E-01,
|
|
'24, 4' : 0.11924211E-01,
|
|
'24, 6' : -0.23121962E-01,
|
|
'24, 7' : 0.17952572E-02,
|
|
'24, 9' : 0.11975428E+00,
|
|
'24, 10' : -0.28478781E-01,
|
|
'24, 12' : 0.18377232E-01,
|
|
'24, 13' : 0.15916922E-01,
|
|
'24, 14' : -0.19703209E-01,
|
|
'24, 15' : 0.15550907E+00,
|
|
'24, 16' : -0.72917253E-01,
|
|
'24, 19' : -0.15705882E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.40552935E-02,
|
|
'25, 2' : -0.29487651E-01,
|
|
'25, 3' : 0.32421623E-01,
|
|
'25, 4' : 0.32321571E-01,
|
|
'25, 6' : 0.14408476E-01,
|
|
'25, 7' : 0.87211403E-02,
|
|
'25, 9' : -0.11602625E+00,
|
|
'25, 10' : -0.70228188E-01,
|
|
'25, 12' : -0.69835747E-01,
|
|
'25, 13' : -0.42270074E-01,
|
|
'25, 14' : -0.47483903E-01,
|
|
'25, 15' : 0.17024439E+00,
|
|
'25, 16' : 0.32283475E-01,
|
|
'25, 19' : 0.22826048E+00,
|
|
'25, 20' : -0.33541868E-02,
|
|
'25, 21' : -0.10792908E-01,
|
|
'25, 23' : 0.41398183E-02,
|
|
'25, 25' : 0.96945723E+00,
|
|
'26, 1' : 0.14844453E-02,
|
|
'26, 2' : 0.13422235E-01,
|
|
'26, 3' : 0.63246263E-01,
|
|
'26, 4' : 0.58986087E-01,
|
|
'26, 6' : -0.16053329E-01,
|
|
'26, 7' : -0.97167345E-02,
|
|
'26, 9' : -0.11129189E+00,
|
|
'26, 10' : -0.67362583E-01,
|
|
'26, 12' : -0.91762756E-01,
|
|
'26, 13' : -0.55542020E-01,
|
|
'26, 14' : 0.86174229E-02,
|
|
'26, 15' : 0.10083055E+00,
|
|
'26, 16' : 0.42400809E-01,
|
|
'26, 19' : 0.96673755E-01,
|
|
'26, 20' : -0.10792908E-01,
|
|
'26, 21' : -0.34812981E-02,
|
|
'26, 23' : 0.30016914E-02,
|
|
'26, 25' : 0.20123413E+00,
|
|
'26, 26' : 0.18300000E+00,
|
|
'27, 5' : -0.12199968E-01,
|
|
'27, 8' : 0.44005908E-01,
|
|
'27, 11' : 0.27040265E-01,
|
|
'27, 17' : -0.16798195E+00,
|
|
'27, 18' : -0.10167586E+00,
|
|
'27, 22' : -0.28863735E-03,
|
|
'27, 27' : 0.18175000E+01,
|
|
'28, 1' : -0.66255883E-02,
|
|
'28, 2' : -0.52881168E-01,
|
|
'28, 3' : 0.82680468E-01,
|
|
'28, 4' : 0.19700373E-01,
|
|
'28, 6' : 0.26000567E-01,
|
|
'28, 7' : 0.23121962E-01,
|
|
'28, 9' : -0.15384399E+00,
|
|
'28, 10' : -0.11975428E+00,
|
|
'28, 12' : -0.33213500E-02,
|
|
'28, 13' : -0.18377232E-01,
|
|
'28, 14' : -0.32552305E-01,
|
|
'28, 15' : 0.62952685E-01,
|
|
'28, 16' : 0.73499917E-01,
|
|
'28, 19' : 0.20180072E+00,
|
|
'28, 20' : -0.41398183E-02,
|
|
'28, 21' : -0.30016914E-02,
|
|
'28, 23' : 0.46072530E-02,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : -0.40103259E-02,
|
|
'29, 2' : -0.32007832E-01,
|
|
'29, 3' : 0.50044707E-01,
|
|
'29, 4' : 0.11924211E-01,
|
|
'29, 6' : 0.23121962E-01,
|
|
'29, 7' : 0.17952572E-02,
|
|
'29, 9' : -0.11975428E+00,
|
|
'29, 10' : -0.28478781E-01,
|
|
'29, 12' : -0.18377232E-01,
|
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'29, 13' : 0.15916922E-01,
|
|
'29, 14' : -0.19703209E-01,
|
|
'29, 15' : 0.15550907E+00,
|
|
'29, 16' : -0.72917253E-01,
|
|
'29, 19' : 0.15705882E-01,
|
|
'29, 24' : -0.28863735E-03,
|
|
'29, 29' : 0.18175000E+01,
|
|
},
|
|
'AlH3.ezfio' : {
|
|
'1, 1' : 0.79160458E+02,
|
|
'2, 1' : -0.41598774E+01,
|
|
'2, 2' : 0.31927655E+01,
|
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'3, 1' : -0.33548146E+00,
|
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'3, 2' : -0.47283500E+00,
|
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'3, 3' : 0.36511170E+00,
|
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'4, 1' : 0.59232902E-02,
|
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'4, 2' : 0.44713339E-01,
|
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'4, 3' : 0.11736902E+00,
|
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'4, 4' : 0.97095000E-01,
|
|
'5, 5' : 0.99491604E+01,
|
|
'6, 6' : 0.99491604E+01,
|
|
'7, 7' : 0.99491604E+01,
|
|
'8, 5' : 0.15289175E+00,
|
|
'8, 8' : 0.54028493E+00,
|
|
'9, 6' : 0.15289175E+00,
|
|
'9, 9' : 0.54028493E+00,
|
|
'10, 7' : 0.15289175E+00,
|
|
'10, 10' : 0.54028493E+00,
|
|
'11, 5' : 0.19851844E-01,
|
|
'11, 8' : 0.14534679E+00,
|
|
'11, 11' : 0.14965000E+00,
|
|
'12, 6' : 0.19851844E-01,
|
|
'12, 9' : 0.14534679E+00,
|
|
'12, 12' : 0.14965000E+00,
|
|
'13, 7' : 0.19851844E-01,
|
|
'13, 10' : 0.14534679E+00,
|
|
'13, 13' : 0.14965000E+00,
|
|
'14, 1' : -0.28329677E-01,
|
|
'14, 2' : -0.13346485E+00,
|
|
'14, 3' : 0.11672312E+00,
|
|
'14, 4' : 0.78158052E-01,
|
|
'14, 14' : 0.40950000E+00,
|
|
'15, 1' : -0.28329677E-01,
|
|
'15, 2' : -0.13346485E+00,
|
|
'15, 3' : 0.11672312E+00,
|
|
'15, 4' : 0.78158052E-01,
|
|
'15, 14' : -0.31500000E-01,
|
|
'15, 15' : 0.40950000E+00,
|
|
'16, 1' : -0.28329677E-01,
|
|
'16, 2' : -0.13346485E+00,
|
|
'16, 3' : 0.11672312E+00,
|
|
'16, 4' : 0.78158052E-01,
|
|
'16, 14' : -0.31500000E-01,
|
|
'16, 15' : -0.31500000E-01,
|
|
'16, 16' : 0.40950000E+00,
|
|
'17, 17' : 0.66150000E+00,
|
|
'18, 18' : 0.66150000E+00,
|
|
'19, 19' : 0.66150000E+00,
|
|
'20, 1' : -0.42833139E-02,
|
|
'20, 2' : -0.30461736E-01,
|
|
'20, 3' : 0.35331655E-01,
|
|
'20, 4' : 0.33130025E-01,
|
|
'20, 7' : -0.16345282E-01,
|
|
'20, 10' : 0.14241441E+00,
|
|
'20, 13' : 0.82070879E-01,
|
|
'20, 14' : -0.48333040E-01,
|
|
'20, 15' : -0.48333040E-01,
|
|
'20, 16' : 0.25509556E+00,
|
|
'20, 20' : 0.96945723E+00,
|
|
'21, 1' : 0.16264273E-02,
|
|
'21, 2' : 0.14467444E-01,
|
|
'21, 3' : 0.65188732E-01,
|
|
'21, 4' : 0.60006701E-01,
|
|
'21, 7' : 0.19305205E-01,
|
|
'21, 10' : 0.13193974E+00,
|
|
'21, 13' : 0.10735855E+00,
|
|
'21, 14' : 0.95706398E-02,
|
|
'21, 15' : 0.95706398E-02,
|
|
'21, 16' : 0.13531928E+00,
|
|
'21, 20' : 0.20123413E+00,
|
|
'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.12804077E-01,
|
|
'22, 8' : 0.47222558E-01,
|
|
'22, 11' : 0.27524444E-01,
|
|
'22, 18' : 0.20343096E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 6' : -0.12804077E-01,
|
|
'23, 9' : 0.47222558E-01,
|
|
'23, 12' : 0.27524444E-01,
|
|
'23, 19' : 0.20343096E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.85422732E-02,
|
|
'24, 2' : 0.64344508E-01,
|
|
'24, 3' : -0.10055157E+00,
|
|
'24, 4' : -0.23200961E-01,
|
|
'24, 7' : 0.38040114E-01,
|
|
'24, 10' : -0.23154285E+00,
|
|
'24, 13' : -0.13643881E-01,
|
|
'24, 14' : 0.38377213E-01,
|
|
'24, 15' : 0.38377213E-01,
|
|
'24, 16' : -0.19237886E+00,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.42834666E-02,
|
|
'25, 2' : -0.30462375E-01,
|
|
'25, 3' : 0.35333616E-01,
|
|
'25, 4' : 0.33130564E-01,
|
|
'25, 6' : -0.14155069E-01,
|
|
'25, 7' : 0.81725183E-02,
|
|
'25, 9' : 0.12333811E+00,
|
|
'25, 10' : -0.71210035E-01,
|
|
'25, 12' : 0.71075525E-01,
|
|
'25, 13' : -0.41035902E-01,
|
|
'25, 14' : -0.48333605E-01,
|
|
'25, 15' : 0.17923957E+00,
|
|
'25, 16' : 0.27525704E-01,
|
|
'25, 19' : -0.22757555E+00,
|
|
'25, 20' : -0.33376547E-02,
|
|
'25, 21' : -0.10789272E-01,
|
|
'25, 23' : -0.20582596E-02,
|
|
'25, 24' : 0.35650474E-02,
|
|
'25, 25' : 0.96945723E+00,
|
|
'26, 1' : 0.16265232E-02,
|
|
'26, 2' : 0.14468148E-01,
|
|
'26, 3' : 0.65190028E-01,
|
|
'26, 4' : 0.60007379E-01,
|
|
'26, 6' : 0.16719065E-01,
|
|
'26, 7' : -0.96528573E-02,
|
|
'26, 9' : 0.11426392E+00,
|
|
'26, 10' : -0.65970995E-01,
|
|
'26, 12' : 0.92975038E-01,
|
|
'26, 13' : -0.53679724E-01,
|
|
'26, 14' : 0.95712788E-02,
|
|
'26, 15' : 0.10388213E+00,
|
|
'26, 16' : 0.41008885E-01,
|
|
'26, 19' : -0.94311833E-01,
|
|
'26, 20' : -0.10789272E-01,
|
|
'26, 21' : -0.35152960E-02,
|
|
'26, 23' : -0.15107640E-02,
|
|
'26, 24' : 0.26167473E-02,
|
|
'26, 25' : 0.20123413E+00,
|
|
'26, 26' : 0.18300000E+00,
|
|
'27, 5' : -0.12804475E-01,
|
|
'27, 8' : 0.47224741E-01,
|
|
'27, 11' : 0.27524766E-01,
|
|
'27, 17' : 0.17618001E+00,
|
|
'27, 18' : -0.10171864E+00,
|
|
'27, 22' : -0.28611740E-03,
|
|
'27, 27' : 0.18175000E+01,
|
|
'28, 1' : 0.73982810E-02,
|
|
'28, 2' : 0.55725257E-01,
|
|
'28, 3' : -0.87082222E-01,
|
|
'28, 4' : -0.20092666E-01,
|
|
'28, 6' : 0.25327655E-01,
|
|
'28, 7' : -0.22015826E-01,
|
|
'28, 9' : -0.16185241E+00,
|
|
'28, 10' : 0.12071201E+00,
|
|
'28, 12' : -0.33511546E-02,
|
|
'28, 13' : 0.17826407E-01,
|
|
'28, 14' : 0.33235737E-01,
|
|
'28, 15' : -0.65781762E-01,
|
|
'28, 16' : -0.67583919E-01,
|
|
'28, 19' : 0.20073717E+00,
|
|
'28, 20' : 0.20582596E-02,
|
|
'28, 21' : 0.15107640E-02,
|
|
'28, 23' : 0.92867063E-03,
|
|
'28, 24' : -0.21040965E-02,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : -0.42714441E-02,
|
|
'29, 2' : -0.32173328E-01,
|
|
'29, 3' : 0.50277469E-01,
|
|
'29, 4' : 0.11600627E-01,
|
|
'29, 6' : -0.22015826E-01,
|
|
'29, 7' : -0.93499784E-04,
|
|
'29, 9' : 0.12071201E+00,
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|
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},
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},
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|
|
'35, 30' : -0.12630969E-01,
|
|
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|
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},
|
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|
|
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|
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|
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'5, 5' : 0.70110787E+00,
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|
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|
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'8, 5' : 0.13864440E+00,
|
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'8, 8' : 0.15045000E+00,
|
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'9, 6' : 0.13864440E+00,
|
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|
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'10, 1' : -0.14856098E+00,
|
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|
|
'10, 3' : 0.77979794E-01,
|
|
'10, 10' : 0.51566667E+00,
|
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'11, 1' : -0.14856098E+00,
|
|
'11, 2' : 0.14781371E+00,
|
|
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|
|
'11, 10' : -0.39666667E-01,
|
|
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|
|
'12, 1' : -0.14856098E+00,
|
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'12, 2' : 0.14781371E+00,
|
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|
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'12, 10' : -0.39666667E-01,
|
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'12, 11' : -0.39666667E-01,
|
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|
|
'13, 13' : 0.83300000E+00,
|
|
'14, 14' : 0.83300000E+00,
|
|
'15, 15' : 0.83300000E+00,
|
|
'16, 1' : -0.76933180E-05,
|
|
'16, 2' : -0.12341918E-02,
|
|
'16, 3' : 0.11091472E-02,
|
|
'16, 6' : 0.14353084E-02,
|
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'16, 9' : 0.39519916E-02,
|
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'16, 10' : -0.24399315E-02,
|
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'16, 11' : -0.24399315E-02,
|
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'16, 12' : 0.90371391E-02,
|
|
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|
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'17, 1' : -0.47428963E-03,
|
|
'17, 2' : -0.64448719E-02,
|
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|
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|
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'17, 9' : 0.27774427E-01,
|
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'17, 10' : -0.17790112E-01,
|
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'17, 11' : -0.17790112E-01,
|
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|
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'17, 16' : -0.65835399E+01,
|
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|
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|
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'18, 2' : 0.18942182E-01,
|
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|
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'18, 6' : 0.95847515E-01,
|
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'18, 9' : 0.89510722E-01,
|
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|
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|
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|
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'18, 16' : -0.55110282E+00,
|
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'18, 17' : -0.12922361E+01,
|
|
'18, 18' : 0.10758422E+01,
|
|
'19, 1' : -0.15645451E-02,
|
|
'19, 2' : 0.42660146E-01,
|
|
'19, 3' : 0.46499476E-01,
|
|
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|
|
'19, 9' : 0.10871072E+00,
|
|
'19, 10' : -0.88060251E-02,
|
|
'19, 11' : -0.88060251E-02,
|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
'20, 7' : 0.38371618E-02,
|
|
'20, 14' : 0.20912825E-01,
|
|
'20, 20' : 0.17704568E+02,
|
|
'21, 5' : 0.16927183E-02,
|
|
'21, 8' : 0.38371618E-02,
|
|
'21, 15' : 0.20912825E-01,
|
|
'21, 21' : 0.17704568E+02,
|
|
'22, 1' : 0.11518422E-02,
|
|
'22, 2' : -0.69303577E-02,
|
|
'22, 3' : -0.30007825E-02,
|
|
'22, 6' : -0.20769588E-01,
|
|
'22, 9' : -0.37443338E-02,
|
|
'22, 10' : 0.10588932E-01,
|
|
'22, 11' : 0.10588932E-01,
|
|
'22, 12' : -0.73722086E-01,
|
|
'22, 22' : 0.17704568E+02,
|
|
'23, 4' : 0.32079312E-01,
|
|
'23, 7' : 0.34765273E-01,
|
|
'23, 14' : 0.17664098E+00,
|
|
'23, 20' : 0.50685037E+00,
|
|
'23, 23' : 0.12931826E+01,
|
|
'24, 5' : 0.32079312E-01,
|
|
'24, 8' : 0.34765273E-01,
|
|
'24, 15' : 0.17664098E+00,
|
|
'24, 21' : 0.50685037E+00,
|
|
'24, 24' : 0.12931826E+01,
|
|
'25, 1' : 0.38268134E-01,
|
|
'25, 2' : -0.85747526E-01,
|
|
'25, 3' : -0.27264294E-01,
|
|
'25, 6' : -0.20268050E+00,
|
|
'25, 9' : -0.27221572E-01,
|
|
'25, 10' : 0.36940415E-01,
|
|
'25, 11' : 0.36940415E-01,
|
|
'25, 12' : -0.32200556E+00,
|
|
'25, 22' : 0.50685037E+00,
|
|
'25, 25' : 0.12931826E+01,
|
|
'26, 4' : 0.93658084E-01,
|
|
'26, 7' : 0.87077711E-01,
|
|
'26, 14' : 0.18743147E+00,
|
|
'26, 20' : 0.59421902E-01,
|
|
'26, 23' : 0.34131320E+00,
|
|
'26, 26' : 0.35175000E+00,
|
|
'27, 5' : 0.93658084E-01,
|
|
'27, 8' : 0.87077711E-01,
|
|
'27, 15' : 0.18743147E+00,
|
|
'27, 21' : 0.59421902E-01,
|
|
'27, 24' : 0.34131320E+00,
|
|
'27, 27' : 0.35175000E+00,
|
|
'28, 1' : -0.46087305E-01,
|
|
'28, 2' : -0.14870571E+00,
|
|
'28, 3' : -0.68806916E-01,
|
|
'28, 6' : -0.19664677E+00,
|
|
'28, 9' : -0.32607135E-01,
|
|
'28, 10' : -0.68048754E-01,
|
|
'28, 11' : -0.68048754E-01,
|
|
'28, 12' : -0.14362118E+00,
|
|
'28, 22' : 0.59421902E-01,
|
|
'28, 25' : 0.34131320E+00,
|
|
'28, 28' : 0.35175000E+00,
|
|
'29, 1' : -0.10631744E-01,
|
|
'29, 2' : -0.11016643E-01,
|
|
'29, 3' : 0.24093914E-01,
|
|
'29, 6' : 0.26877233E-01,
|
|
'29, 9' : 0.78802184E-01,
|
|
'29, 10' : 0.11664261E-01,
|
|
'29, 11' : -0.41492194E-01,
|
|
'29, 12' : 0.92071340E-01,
|
|
'29, 16' : -0.10151573E+00,
|
|
'29, 17' : -0.34551235E+00,
|
|
'29, 18' : 0.36457368E+00,
|
|
'29, 19' : 0.19306598E+00,
|
|
'29, 29' : 0.10378333E+01,
|
|
'30, 1' : -0.10631744E-01,
|
|
'30, 2' : -0.11016643E-01,
|
|
'30, 3' : 0.24093914E-01,
|
|
'30, 6' : 0.26877233E-01,
|
|
'30, 9' : 0.78802184E-01,
|
|
'30, 10' : -0.41492194E-01,
|
|
'30, 11' : 0.11664261E-01,
|
|
'30, 12' : 0.92071340E-01,
|
|
'30, 16' : -0.10151573E+00,
|
|
'30, 17' : -0.34551235E+00,
|
|
'30, 18' : 0.36457368E+00,
|
|
'30, 19' : 0.19306598E+00,
|
|
'30, 29' : -0.79833333E-01,
|
|
'30, 30' : 0.10378333E+01,
|
|
'31, 1' : -0.46539377E-01,
|
|
'31, 2' : 0.10399538E+00,
|
|
'31, 3' : 0.36478479E-01,
|
|
'31, 6' : 0.25427809E+00,
|
|
'31, 9' : 0.71881397E-01,
|
|
'31, 10' : -0.48063489E-01,
|
|
'31, 11' : -0.48063489E-01,
|
|
'31, 12' : 0.24571636E+00,
|
|
'31, 16' : -0.10151573E+00,
|
|
'31, 17' : -0.34551235E+00,
|
|
'31, 18' : 0.36457368E+00,
|
|
'31, 19' : 0.19306598E+00,
|
|
'31, 29' : -0.79833333E-01,
|
|
'31, 30' : -0.79833333E-01,
|
|
'31, 31' : 0.10378333E+01,
|
|
'32, 13' : 0.79734684E-01,
|
|
'32, 32' : 0.16765000E+01,
|
|
'33, 4' : -0.10650179E+00,
|
|
'33, 7' : -0.27934399E-01,
|
|
'33, 14' : -0.35515044E+00,
|
|
'33, 33' : 0.16765000E+01,
|
|
'34, 5' : -0.10650179E+00,
|
|
'34, 8' : -0.27934399E-01,
|
|
'34, 15' : -0.35515044E+00,
|
|
'34, 34' : 0.16765000E+01,
|
|
},
|
|
'B.ezfio' : {
|
|
'1, 1' : 0.11001732E+02,
|
|
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|
|
'2, 2' : 0.62489130E+00,
|
|
'3, 1' : 0.53042153E-01,
|
|
'3, 2' : 0.18884261E+00,
|
|
'3, 3' : 0.15645000E+00,
|
|
'4, 4' : 0.13039006E+01,
|
|
'5, 5' : 0.13039006E+01,
|
|
'6, 6' : 0.13039006E+01,
|
|
'7, 4' : 0.20595585E+00,
|
|
'7, 7' : 0.23845000E+00,
|
|
'8, 5' : 0.20595585E+00,
|
|
'8, 8' : 0.23845000E+00,
|
|
'9, 6' : 0.20595585E+00,
|
|
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|
|
'10, 1' : -0.20837583E+00,
|
|
'10, 2' : 0.17334596E+00,
|
|
'10, 3' : 0.13173650E+00,
|
|
'10, 10' : 0.74316667E+00,
|
|
'11, 1' : -0.20837583E+00,
|
|
'11, 2' : 0.17334596E+00,
|
|
'11, 3' : 0.13173650E+00,
|
|
'11, 10' : -0.57166667E-01,
|
|
'11, 11' : 0.74316667E+00,
|
|
'12, 1' : -0.20837583E+00,
|
|
'12, 2' : 0.17334596E+00,
|
|
'12, 3' : 0.13173650E+00,
|
|
'12, 10' : -0.57166667E-01,
|
|
'12, 11' : -0.57166667E-01,
|
|
'12, 12' : 0.74316667E+00,
|
|
'13, 13' : 0.12005000E+01,
|
|
'14, 14' : 0.12005000E+01,
|
|
'15, 15' : 0.12005000E+01,
|
|
},
|
|
'B+.ezfio' : {
|
|
'1, 1' : 0.11001732E+02,
|
|
'2, 1' : -0.99551766E+00,
|
|
'2, 2' : 0.62489130E+00,
|
|
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|
|
'3, 2' : 0.18884261E+00,
|
|
'3, 3' : 0.15645000E+00,
|
|
'4, 4' : 0.13039006E+01,
|
|
'5, 5' : 0.13039006E+01,
|
|
'6, 6' : 0.13039006E+01,
|
|
'7, 4' : 0.20595585E+00,
|
|
'7, 7' : 0.23845000E+00,
|
|
'8, 5' : 0.20595585E+00,
|
|
'8, 8' : 0.23845000E+00,
|
|
'9, 6' : 0.20595585E+00,
|
|
'9, 9' : 0.23845000E+00,
|
|
'10, 1' : -0.20837583E+00,
|
|
'10, 2' : 0.17334596E+00,
|
|
'10, 3' : 0.13173650E+00,
|
|
'10, 10' : 0.74316667E+00,
|
|
'11, 1' : -0.20837583E+00,
|
|
'11, 2' : 0.17334596E+00,
|
|
'11, 3' : 0.13173650E+00,
|
|
'11, 10' : -0.57166667E-01,
|
|
'11, 11' : 0.74316667E+00,
|
|
'12, 1' : -0.20837583E+00,
|
|
'12, 2' : 0.17334596E+00,
|
|
'12, 3' : 0.13173650E+00,
|
|
'12, 10' : -0.57166667E-01,
|
|
'12, 11' : -0.57166667E-01,
|
|
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|
|
'13, 13' : 0.12005000E+01,
|
|
'14, 14' : 0.12005000E+01,
|
|
'15, 15' : 0.12005000E+01,
|
|
},
|
|
'BH2.ezfio' : {
|
|
'1, 1' : 0.11001732E+02,
|
|
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|
|
'2, 2' : 0.62489130E+00,
|
|
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|
|
'3, 2' : 0.18884261E+00,
|
|
'3, 3' : 0.15645000E+00,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'8, 8' : 0.23845000E+00,
|
|
'9, 6' : 0.20595585E+00,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'15, 15' : 0.12005000E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.22882364E-01,
|
|
'17, 2' : 0.10135156E+00,
|
|
'17, 3' : 0.10217875E+00,
|
|
'17, 5' : 0.10641668E+00,
|
|
'17, 6' : -0.51957079E-01,
|
|
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|
|
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|
|
'17, 10' : 0.55059040E-01,
|
|
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|
|
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|
|
'17, 15' : -0.54116693E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.12624976E+00,
|
|
'18, 7' : 0.74726051E-01,
|
|
'18, 13' : 0.44847775E+00,
|
|
'18, 14' : -0.21896562E+00,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'19, 6' : 0.25135679E+00,
|
|
'19, 8' : -0.18915774E-02,
|
|
'19, 9' : 0.37407935E-01,
|
|
'19, 10' : 0.42347576E-01,
|
|
'19, 11' : -0.14833563E+00,
|
|
'19, 12' : -0.12655445E+00,
|
|
'19, 15' : 0.38021874E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.22964413E-01,
|
|
'20, 2' : 0.10477568E+00,
|
|
'20, 3' : 0.26670445E-01,
|
|
'20, 5' : 0.25135679E+00,
|
|
'20, 6' : 0.35268474E-02,
|
|
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|
|
'20, 9' : 0.56461930E-01,
|
|
'20, 10' : -0.20675860E-01,
|
|
'20, 11' : 0.32526339E+00,
|
|
'20, 12' : -0.19105054E+00,
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|
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|
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|
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},
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
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},
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},
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'19, 11' : -0.38551002E+00,
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'19, 12' : -0.18445270E+00,
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'19, 15' : 0.54884647E+00,
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'19, 19' : 0.18175000E+01,
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'20, 1' : -0.65518104E-02,
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'20, 9' : 0.10928158E+00,
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'20, 10' : -0.64931266E-02,
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'20, 11' : 0.45369590E+00,
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'20, 20' : 0.18175000E+01,
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'21, 1' : -0.14473856E-01,
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'21, 2' : 0.75232844E-01,
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'21, 3' : 0.11081527E+00,
|
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'21, 6' : -0.10601231E+00,
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'21, 8' : -0.24269746E+00,
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'21, 9' : -0.10517949E+00,
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'21, 10' : -0.56176685E-01,
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'21, 12' : 0.25624007E-01,
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'21, 16' : -0.25225505E-01,
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'22, 1' : 0.21560912E-01,
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|
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'22, 5' : -0.80614475E-01,
|
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'22, 6' : -0.34936458E-01,
|
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'22, 8' : -0.14593585E+00,
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'22, 9' : -0.63245235E-01,
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|
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|
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'24, 16' : -0.32460911E-01,
|
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|
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|
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|
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|
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|
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|
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'25, 5' : -0.31791829E+00,
|
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|
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|
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|
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|
|
'25, 20' : -0.11390808E-01,
|
|
'25, 25' : 0.18175000E+01,
|
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},
|
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|
|
'1, 1' : 0.16169820E+02,
|
|
'2, 1' : -0.14895345E+01,
|
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'2, 2' : 0.97295603E+00,
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'8, 8' : 0.37925000E+00,
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'11, 10' : -0.91666667E-01,
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|
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'12, 10' : -0.91666667E-01,
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'12, 11' : -0.91666667E-01,
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|
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'13, 13' : 0.19250000E+01,
|
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'14, 14' : 0.19250000E+01,
|
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'15, 15' : 0.19250000E+01,
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'16, 1' : -0.17993405E-01,
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'16, 2' : 0.42624549E-01,
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'16, 3' : 0.95659250E-01,
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'16, 6' : -0.13896705E+00,
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'16, 9' : -0.17029368E+00,
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'16, 10' : -0.58899780E-01,
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'16, 15' : -0.39120375E+00,
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|
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|
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'17, 9' : -0.10727471E+00,
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|
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|
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|
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'18, 13' : 0.37683848E+00,
|
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|
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'19, 1' : 0.34687078E-01,
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'19, 2' : -0.19484382E+00,
|
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'19, 3' : -0.88219753E-01,
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|
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|
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|
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|
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|
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|
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'20, 10' : -0.23416858E-01,
|
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|
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'20, 15' : -0.37923429E+00,
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|
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'21, 1' : -0.17993405E-01,
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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'24, 19' : 0.19289715E-01,
|
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'24, 24' : 0.18175000E+01,
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
'25, 20' : -0.20970346E-01,
|
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'25, 25' : 0.18175000E+01,
|
|
},
|
|
'CH3-.ezfio' : {
|
|
'1, 1' : 0.16169820E+02,
|
|
'2, 1' : -0.14895345E+01,
|
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'2, 2' : 0.97295603E+00,
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|
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|
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|
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'8, 8' : 0.37925000E+00,
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'9, 6' : 0.32181759E+00,
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|
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|
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|
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|
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'11, 10' : -0.91666667E-01,
|
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|
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|
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|
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|
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'12, 10' : -0.91666667E-01,
|
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'12, 11' : -0.91666667E-01,
|
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|
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'13, 13' : 0.19250000E+01,
|
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'14, 14' : 0.19250000E+01,
|
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'15, 15' : 0.19250000E+01,
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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},
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|
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|
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|
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|
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|
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|
|
},
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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'33, 21' : -0.43000898E+00,
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
'37, 8' : -0.16790447E-01,
|
|
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|
|
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|
|
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|
|
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|
|
'38, 9' : -0.16790447E-01,
|
|
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|
|
'38, 19' : -0.85185853E-02,
|
|
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|
|
},
|
|
'Cl2+.ezfio' : {
|
|
'1, 1' : 0.13666782E+03,
|
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'2, 2' : 0.64116596E+01,
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'8, 8' : 0.15337068E+01,
|
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|
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|
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|
|
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|
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|
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|
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|
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'16, 2' : -0.43000898E+00,
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|
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|
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|
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|
|
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|
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|
|
'20, 4' : -0.14575253E-02,
|
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'20, 10' : 0.18795065E-02,
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
'38, 6' : -0.59404798E-02,
|
|
'38, 9' : -0.11841572E-01,
|
|
'38, 12' : 0.59993875E-01,
|
|
'38, 19' : -0.45827576E-01,
|
|
'38, 38' : 0.21000000E+01,
|
|
},
|
|
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|
|
'1, 1' : 0.13666782E+03,
|
|
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|
|
'2, 2' : 0.64116596E+01,
|
|
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|
|
'3, 2' : -0.16992921E+01,
|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'11, 11' : 0.40500000E+00,
|
|
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|
|
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|
|
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|
|
'13, 7' : 0.68445023E-01,
|
|
'13, 10' : 0.38966520E+00,
|
|
'13, 13' : 0.40500000E+00,
|
|
'14, 1' : -0.13593372E+00,
|
|
'14, 2' : -0.43000898E+00,
|
|
'14, 3' : 0.48103667E+00,
|
|
'14, 4' : 0.23967185E+00,
|
|
'14, 14' : 0.13000000E+01,
|
|
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|
|
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|
|
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|
|
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|
|
'15, 14' : -0.10000000E+00,
|
|
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|
|
'16, 1' : -0.13593372E+00,
|
|
'16, 2' : -0.43000898E+00,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'18, 18' : 0.21000000E+01,
|
|
'19, 19' : 0.21000000E+01,
|
|
},
|
|
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|
|
'1, 1' : 0.13666782E+03,
|
|
'2, 1' : -0.75291988E+01,
|
|
'2, 2' : 0.64116596E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
'8, 8' : 0.15337068E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'14, 2' : -0.43000898E+00,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'18, 18' : 0.21000000E+01,
|
|
'19, 19' : 0.21000000E+01,
|
|
},
|
|
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|
|
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|
|
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|
|
'2, 2' : 0.64116596E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'9, 6' : 0.59287908E+00,
|
|
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|
|
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|
|
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|
|
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|
|
'11, 8' : 0.38966520E+00,
|
|
'11, 11' : 0.40500000E+00,
|
|
'12, 6' : 0.68445023E-01,
|
|
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|
|
'12, 12' : 0.40500000E+00,
|
|
'13, 7' : 0.68445023E-01,
|
|
'13, 10' : 0.38966520E+00,
|
|
'13, 13' : 0.40500000E+00,
|
|
'14, 1' : -0.13593372E+00,
|
|
'14, 2' : -0.43000898E+00,
|
|
'14, 3' : 0.48103667E+00,
|
|
'14, 4' : 0.23967185E+00,
|
|
'14, 14' : 0.13000000E+01,
|
|
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|
|
'15, 2' : -0.43000898E+00,
|
|
'15, 3' : 0.48103667E+00,
|
|
'15, 4' : 0.23967185E+00,
|
|
'15, 14' : -0.10000000E+00,
|
|
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|
|
'16, 1' : -0.13593372E+00,
|
|
'16, 2' : -0.43000898E+00,
|
|
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|
|
'16, 4' : 0.23967185E+00,
|
|
'16, 14' : -0.10000000E+00,
|
|
'16, 15' : -0.10000000E+00,
|
|
'16, 16' : 0.13000000E+01,
|
|
'17, 17' : 0.21000000E+01,
|
|
'18, 18' : 0.21000000E+01,
|
|
'19, 19' : 0.21000000E+01,
|
|
},
|
|
'ClH2+.ezfio' : {
|
|
'1, 1' : 0.13666782E+03,
|
|
'2, 1' : -0.75291988E+01,
|
|
'2, 2' : 0.64116596E+01,
|
|
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|
|
'3, 2' : -0.16992921E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'5, 5' : 0.20660416E+02,
|
|
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|
|
'7, 7' : 0.20660416E+02,
|
|
'8, 5' : 0.59287908E+00,
|
|
'8, 8' : 0.15337068E+01,
|
|
'9, 6' : 0.59287908E+00,
|
|
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|
|
'10, 7' : 0.59287908E+00,
|
|
'10, 10' : 0.15337068E+01,
|
|
'11, 5' : 0.68445023E-01,
|
|
'11, 8' : 0.38966520E+00,
|
|
'11, 11' : 0.40500000E+00,
|
|
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|
|
'12, 9' : 0.38966520E+00,
|
|
'12, 12' : 0.40500000E+00,
|
|
'13, 7' : 0.68445023E-01,
|
|
'13, 10' : 0.38966520E+00,
|
|
'13, 13' : 0.40500000E+00,
|
|
'14, 1' : -0.13593372E+00,
|
|
'14, 2' : -0.43000898E+00,
|
|
'14, 3' : 0.48103667E+00,
|
|
'14, 4' : 0.23967185E+00,
|
|
'14, 14' : 0.13000000E+01,
|
|
'15, 1' : -0.13593372E+00,
|
|
'15, 2' : -0.43000898E+00,
|
|
'15, 3' : 0.48103667E+00,
|
|
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|
|
'15, 14' : -0.10000000E+00,
|
|
'15, 15' : 0.13000000E+01,
|
|
'16, 1' : -0.13593372E+00,
|
|
'16, 2' : -0.43000898E+00,
|
|
'16, 3' : 0.48103667E+00,
|
|
'16, 4' : 0.23967185E+00,
|
|
'16, 14' : -0.10000000E+00,
|
|
'16, 15' : -0.10000000E+00,
|
|
'16, 16' : 0.13000000E+01,
|
|
'17, 17' : 0.21000000E+01,
|
|
'18, 18' : 0.21000000E+01,
|
|
'19, 19' : 0.21000000E+01,
|
|
'20, 1' : -0.49154114E-02,
|
|
'20, 2' : -0.28420066E-01,
|
|
'20, 3' : 0.62560439E-03,
|
|
'20, 4' : 0.61400349E-01,
|
|
'20, 6' : -0.63284120E-03,
|
|
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|
|
'20, 9' : 0.93308004E-01,
|
|
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|
|
'20, 12' : 0.17318639E+00,
|
|
'20, 13' : -0.15588016E+00,
|
|
'20, 14' : -0.58450878E-01,
|
|
'20, 15' : 0.99069629E-01,
|
|
'20, 16' : 0.69161055E-01,
|
|
'20, 19' : -0.24556972E+00,
|
|
'20, 20' : 0.96945723E+00,
|
|
'21, 1' : 0.28352596E-02,
|
|
'21, 2' : 0.19852748E-01,
|
|
'21, 3' : 0.69165848E-01,
|
|
'21, 4' : 0.94162655E-01,
|
|
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|
|
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|
|
'21, 9' : 0.65617162E-01,
|
|
'21, 10' : -0.59060148E-01,
|
|
'21, 12' : 0.11798722E+00,
|
|
'21, 13' : -0.10619695E+00,
|
|
'21, 14' : 0.45366732E-01,
|
|
'21, 15' : 0.72646590E-01,
|
|
'21, 16' : 0.67466936E-01,
|
|
'21, 19' : -0.42528477E-01,
|
|
'21, 20' : 0.20123413E+00,
|
|
'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.12667792E-01,
|
|
'22, 8' : 0.43644244E-01,
|
|
'22, 11' : 0.10318912E+00,
|
|
'22, 17' : 0.19755979E+00,
|
|
'22, 18' : -0.17781797E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 1' : 0.12447819E-01,
|
|
'23, 2' : 0.59280838E-01,
|
|
'23, 3' : -0.12143548E+00,
|
|
'23, 4' : -0.90414412E-01,
|
|
'23, 6' : -0.85040451E-02,
|
|
'23, 7' : -0.37476704E-02,
|
|
'23, 9' : -0.23003679E+00,
|
|
'23, 10' : 0.24633254E+00,
|
|
'23, 12' : -0.45288182E-01,
|
|
'23, 13' : 0.13364022E+00,
|
|
'23, 14' : 0.47202137E-01,
|
|
'23, 15' : -0.15353872E+00,
|
|
'23, 16' : -0.30023243E+00,
|
|
'23, 19' : 0.49076692E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.11203929E-01,
|
|
'24, 2' : -0.53357003E-01,
|
|
'24, 3' : 0.10930063E+00,
|
|
'24, 4' : 0.81379451E-01,
|
|
'24, 6' : -0.37476704E-02,
|
|
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|
|
'24, 9' : 0.24633254E+00,
|
|
'24, 10' : -0.17807270E+00,
|
|
'24, 12' : 0.13364022E+00,
|
|
'24, 13' : -0.17096649E-01,
|
|
'24, 14' : -0.42485306E-01,
|
|
'24, 15' : 0.34352236E+00,
|
|
'24, 16' : 0.64904193E-01,
|
|
'24, 19' : -0.40421452E+00,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.49154114E-02,
|
|
'25, 2' : -0.28420066E-01,
|
|
'25, 3' : 0.62560439E-03,
|
|
'25, 4' : 0.61400349E-01,
|
|
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|
|
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|
|
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|
|
'25, 10' : -0.83983891E-01,
|
|
'25, 12' : -0.17318639E+00,
|
|
'25, 13' : -0.15588016E+00,
|
|
'25, 14' : -0.58450878E-01,
|
|
'25, 15' : 0.99069629E-01,
|
|
'25, 16' : 0.69161055E-01,
|
|
'25, 19' : 0.24556972E+00,
|
|
'25, 20' : -0.26558233E-01,
|
|
'25, 21' : 0.59050451E-02,
|
|
'25, 23' : 0.33422300E-01,
|
|
'25, 25' : 0.96945723E+00,
|
|
'26, 1' : 0.28352596E-02,
|
|
'26, 2' : 0.19852748E-01,
|
|
'26, 3' : 0.69165848E-01,
|
|
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|
|
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|
|
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|
|
'26, 9' : -0.65617162E-01,
|
|
'26, 10' : -0.59060148E-01,
|
|
'26, 12' : -0.11798722E+00,
|
|
'26, 13' : -0.10619695E+00,
|
|
'26, 14' : 0.45366732E-01,
|
|
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|
|
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|
|
'26, 19' : 0.42528477E-01,
|
|
'26, 20' : 0.59050451E-02,
|
|
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|
|
'26, 23' : -0.28795913E-01,
|
|
'26, 25' : 0.20123413E+00,
|
|
'26, 26' : 0.18300000E+00,
|
|
'27, 5' : -0.12667792E-01,
|
|
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|
|
'27, 11' : 0.10318912E+00,
|
|
'27, 17' : -0.19755979E+00,
|
|
'27, 18' : -0.17781797E+00,
|
|
'27, 22' : -0.12592851E-01,
|
|
'27, 27' : 0.18175000E+01,
|
|
'28, 1' : -0.12447819E-01,
|
|
'28, 2' : -0.59280838E-01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'28, 23' : 0.61304522E-01,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : -0.11203929E-01,
|
|
'29, 2' : -0.53357003E-01,
|
|
'29, 3' : 0.10930063E+00,
|
|
'29, 4' : 0.81379451E-01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'29, 14' : -0.42485306E-01,
|
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'7, 6' : -0.75291988E+01,
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'8, 1' : 0.68762091E-02,
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'8, 6' : -0.59405484E+00,
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|
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|
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|
|
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|
|
},
|
|
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|
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|
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|
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'9, 6' : 0.50685037E+00,
|
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|
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|
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'11, 5' : 0.59421902E-01,
|
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'11, 8' : 0.34131320E+00,
|
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'11, 11' : 0.35175000E+00,
|
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'12, 6' : 0.59421902E-01,
|
|
'12, 9' : 0.34131320E+00,
|
|
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|
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'13, 7' : 0.59421902E-01,
|
|
'13, 10' : 0.34131320E+00,
|
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'13, 13' : 0.35175000E+00,
|
|
'14, 1' : -0.10151573E+00,
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|
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|
|
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|
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'14, 14' : 0.10378333E+01,
|
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|
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|
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'15, 14' : -0.79833333E-01,
|
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'16, 2' : -0.34551235E+00,
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|
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|
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|
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'16, 15' : -0.79833333E-01,
|
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|
|
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|
|
'18, 18' : 0.16765000E+01,
|
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'19, 19' : 0.16765000E+01,
|
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'20, 3' : -0.80702821E-03,
|
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'20, 4' : -0.98738931E-03,
|
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|
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|
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|
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|
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|
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'21, 20' : -0.75291988E+01,
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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},
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|
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'22, 11' : 0.12870656E-02,
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'25, 3' : -0.18971850E-01,
|
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'25, 9' : -0.25113054E+00,
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'25, 10' : 0.58620784E-01,
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'25, 11' : 0.58620784E-01,
|
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'25, 12' : 0.16763492E-01,
|
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'25, 22' : 0.59287908E+00,
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'25, 25' : 0.15337068E+01,
|
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'26, 4' : 0.17991232E-01,
|
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|
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'26, 14' : 0.25103498E-01,
|
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'26, 20' : 0.68445023E-01,
|
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'26, 23' : 0.38966520E+00,
|
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'26, 26' : 0.40500000E+00,
|
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'27, 5' : 0.17991232E-01,
|
|
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|
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'27, 15' : 0.25103498E-01,
|
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'27, 21' : 0.68445023E-01,
|
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'27, 24' : 0.38966520E+00,
|
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'27, 27' : 0.40500000E+00,
|
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'28, 2' : -0.86258165E-01,
|
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'28, 3' : -0.15694286E+00,
|
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'28, 6' : -0.82952980E-01,
|
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'28, 9' : -0.23908099E+00,
|
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'28, 10' : -0.67759481E-01,
|
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'28, 11' : -0.67759481E-01,
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'28, 12' : -0.10175168E+00,
|
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'28, 22' : 0.68445023E-01,
|
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'28, 25' : 0.38966520E+00,
|
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'28, 28' : 0.40500000E+00,
|
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'29, 1' : -0.14145160E-02,
|
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'29, 2' : -0.23150863E-01,
|
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'29, 3' : -0.45889128E-01,
|
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'29, 6' : -0.29382213E-01,
|
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'29, 9' : -0.20581441E-01,
|
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'29, 10' : -0.18960048E-01,
|
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'29, 11' : -0.14762209E-01,
|
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'29, 12' : -0.43017113E-01,
|
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'29, 16' : -0.13593372E+00,
|
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'29, 17' : -0.43000898E+00,
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'29, 18' : 0.48103667E+00,
|
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|
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|
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'30, 1' : -0.14145160E-02,
|
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'30, 2' : -0.23150863E-01,
|
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'30, 3' : -0.45889128E-01,
|
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'30, 6' : -0.29382213E-01,
|
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'30, 9' : -0.20581441E-01,
|
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'30, 10' : -0.14762209E-01,
|
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'30, 11' : -0.18960048E-01,
|
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'30, 12' : -0.43017113E-01,
|
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'30, 16' : -0.13593372E+00,
|
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'30, 17' : -0.43000898E+00,
|
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'30, 19' : 0.23967185E+00,
|
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|
|
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|
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'31, 1' : -0.27934887E-01,
|
|
'31, 2' : -0.66635002E-01,
|
|
'31, 3' : 0.63115114E-01,
|
|
'31, 6' : 0.34807926E-01,
|
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'31, 9' : 0.32990079E+00,
|
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'31, 10' : -0.86200835E-01,
|
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'31, 11' : -0.86200835E-01,
|
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'31, 12' : 0.84569873E-01,
|
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'31, 16' : -0.13593372E+00,
|
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'31, 17' : -0.43000898E+00,
|
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'31, 18' : 0.48103667E+00,
|
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'31, 19' : 0.23967185E+00,
|
|
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|
|
'31, 30' : -0.10000000E+00,
|
|
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|
|
'32, 13' : -0.62967594E-02,
|
|
'32, 32' : 0.21000000E+01,
|
|
'33, 4' : 0.21276451E-01,
|
|
'33, 7' : -0.10776022E+00,
|
|
'33, 14' : -0.16320414E-01,
|
|
'33, 33' : 0.21000000E+01,
|
|
'34, 5' : 0.21276451E-01,
|
|
'34, 8' : -0.10776022E+00,
|
|
'34, 15' : -0.16320414E-01,
|
|
'34, 34' : 0.21000000E+01,
|
|
},
|
|
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|
|
'1, 1' : 0.37571071E+02,
|
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'2, 1' : -0.34632564E+01,
|
|
'2, 2' : 0.24269369E+01,
|
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'3, 1' : 0.20837271E+00,
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'3, 2' : 0.70081001E+00,
|
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'3, 3' : 0.58455000E+00,
|
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'4, 4' : 0.56610775E+01,
|
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'5, 5' : 0.56610775E+01,
|
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'6, 6' : 0.56610775E+01,
|
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'7, 4' : 0.69140601E+00,
|
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'7, 7' : 0.86775000E+00,
|
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'8, 5' : 0.69140601E+00,
|
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'8, 8' : 0.86775000E+00,
|
|
'9, 6' : 0.69140601E+00,
|
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'9, 9' : 0.86775000E+00,
|
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'10, 1' : -0.10584537E+01,
|
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'10, 2' : 0.96509580E+00,
|
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'10, 3' : 0.51858638E+00,
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'10, 10' : 0.35533333E+01,
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'11, 1' : -0.10584537E+01,
|
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'11, 2' : 0.96509580E+00,
|
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'11, 3' : 0.51858638E+00,
|
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'11, 10' : -0.27333333E+00,
|
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'11, 11' : 0.35533333E+01,
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'12, 1' : -0.10584537E+01,
|
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'12, 2' : 0.96509580E+00,
|
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'12, 3' : 0.51858638E+00,
|
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'12, 10' : -0.27333333E+00,
|
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'12, 11' : -0.27333333E+00,
|
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'12, 12' : 0.35533333E+01,
|
|
'13, 13' : 0.57400000E+01,
|
|
'14, 14' : 0.57400000E+01,
|
|
'15, 15' : 0.57400000E+01,
|
|
'16, 2' : -0.78191262E-04,
|
|
'16, 3' : -0.37796347E-02,
|
|
'16, 6' : -0.25349724E-03,
|
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'16, 9' : -0.42984766E-02,
|
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'16, 10' : -0.18586079E-05,
|
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'16, 11' : -0.18586079E-05,
|
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'16, 12' : -0.16451367E-03,
|
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'16, 16' : 0.13666782E+03,
|
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'17, 2' : -0.33657706E-02,
|
|
'17, 3' : -0.24079083E-01,
|
|
'17, 6' : -0.81789179E-02,
|
|
'17, 9' : -0.14320457E-01,
|
|
'17, 10' : -0.69674476E-03,
|
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'17, 11' : -0.69674476E-03,
|
|
'17, 12' : -0.13306426E-01,
|
|
'17, 16' : -0.75291988E+01,
|
|
'17, 17' : 0.64116596E+01,
|
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'18, 1' : -0.96289891E-02,
|
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'18, 2' : -0.52335850E-01,
|
|
'18, 3' : -0.22949649E-01,
|
|
'18, 6' : -0.36092881E-01,
|
|
'18, 9' : 0.11321989E+00,
|
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'18, 10' : -0.46388267E-01,
|
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'18, 11' : -0.46388267E-01,
|
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'18, 12' : -0.41494376E-01,
|
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'18, 16' : -0.59405484E+00,
|
|
'18, 17' : -0.16992921E+01,
|
|
'18, 18' : 0.14296619E+01,
|
|
'19, 1' : -0.14332723E-02,
|
|
'19, 2' : 0.75757055E-03,
|
|
'19, 3' : 0.26916197E-01,
|
|
'19, 6' : 0.28709704E-01,
|
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'19, 9' : 0.13694393E+00,
|
|
'19, 10' : -0.55645575E-02,
|
|
'19, 11' : -0.55645575E-02,
|
|
'19, 12' : 0.21037216E-01,
|
|
'19, 16' : 0.26731850E-01,
|
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'19, 17' : 0.16832280E+00,
|
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'19, 18' : 0.34056672E+00,
|
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'19, 19' : 0.29070000E+00,
|
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'20, 4' : -0.13928493E-02,
|
|
'20, 7' : -0.17546852E-02,
|
|
'20, 14' : -0.35648985E-02,
|
|
'20, 20' : 0.20660416E+02,
|
|
'21, 5' : -0.13928493E-02,
|
|
'21, 8' : -0.17546852E-02,
|
|
'21, 15' : -0.35648985E-02,
|
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'21, 21' : 0.20660416E+02,
|
|
'22, 1' : 0.57698019E-04,
|
|
'22, 2' : 0.74430171E-02,
|
|
'22, 3' : 0.69890958E-02,
|
|
'22, 6' : 0.14741601E-01,
|
|
'22, 9' : -0.35411120E-01,
|
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'22, 10' : 0.26236561E-02,
|
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'22, 11' : 0.26236561E-02,
|
|
'22, 12' : 0.24636082E-01,
|
|
'22, 22' : 0.20660416E+02,
|
|
'23, 4' : -0.14498741E-01,
|
|
'23, 7' : 0.34895984E-01,
|
|
'23, 14' : -0.45201167E-02,
|
|
'23, 20' : 0.59287908E+00,
|
|
'23, 23' : 0.15337068E+01,
|
|
'24, 5' : -0.14498741E-01,
|
|
'24, 8' : 0.34895984E-01,
|
|
'24, 15' : -0.45201167E-02,
|
|
'24, 21' : 0.59287908E+00,
|
|
'24, 24' : 0.15337068E+01,
|
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'25, 1' : 0.18833188E-01,
|
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'25, 2' : 0.58566129E-01,
|
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'25, 3' : -0.47882688E-01,
|
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'25, 6' : -0.65041770E-02,
|
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'25, 9' : -0.31670405E+00,
|
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'25, 10' : 0.65999891E-01,
|
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'25, 11' : 0.65999891E-01,
|
|
'25, 12' : -0.20333498E-01,
|
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'25, 22' : 0.59287908E+00,
|
|
'25, 25' : 0.15337068E+01,
|
|
'26, 4' : 0.24058856E-01,
|
|
'26, 7' : 0.10632921E+00,
|
|
'26, 14' : 0.29850214E-01,
|
|
'26, 20' : 0.68445023E-01,
|
|
'26, 23' : 0.38966520E+00,
|
|
'26, 26' : 0.40500000E+00,
|
|
'27, 5' : 0.24058856E-01,
|
|
'27, 8' : 0.10632921E+00,
|
|
'27, 15' : 0.29850214E-01,
|
|
'27, 21' : 0.68445023E-01,
|
|
'27, 24' : 0.38966520E+00,
|
|
'27, 27' : 0.40500000E+00,
|
|
'28, 1' : -0.19841039E-01,
|
|
'28, 2' : -0.10820300E+00,
|
|
'28, 3' : -0.18223474E+00,
|
|
'28, 6' : -0.89039322E-01,
|
|
'28, 9' : -0.23722383E+00,
|
|
'28, 10' : -0.87241577E-01,
|
|
'28, 11' : -0.87241577E-01,
|
|
'28, 12' : -0.11808302E+00,
|
|
'28, 22' : 0.68445023E-01,
|
|
'28, 25' : 0.38966520E+00,
|
|
'28, 28' : 0.40500000E+00,
|
|
'29, 1' : -0.24939786E-02,
|
|
'29, 2' : -0.32394102E-01,
|
|
'29, 3' : -0.49013922E-01,
|
|
'29, 6' : -0.38711470E-01,
|
|
'29, 9' : -0.20064051E-02,
|
|
'29, 10' : -0.24671179E-01,
|
|
'29, 11' : -0.21665687E-01,
|
|
'29, 12' : -0.56616597E-01,
|
|
'29, 16' : -0.13593372E+00,
|
|
'29, 17' : -0.43000898E+00,
|
|
'29, 18' : 0.48103667E+00,
|
|
'29, 19' : 0.23967185E+00,
|
|
'29, 29' : 0.13000000E+01,
|
|
'30, 1' : -0.24939786E-02,
|
|
'30, 2' : -0.32394102E-01,
|
|
'30, 3' : -0.49013922E-01,
|
|
'30, 6' : -0.38711470E-01,
|
|
'30, 9' : -0.20064051E-02,
|
|
'30, 10' : -0.21665687E-01,
|
|
'30, 11' : -0.24671179E-01,
|
|
'30, 12' : -0.56616597E-01,
|
|
'30, 16' : -0.13593372E+00,
|
|
'30, 17' : -0.43000898E+00,
|
|
'30, 18' : 0.48103667E+00,
|
|
'30, 19' : 0.23967185E+00,
|
|
'30, 29' : -0.10000000E+00,
|
|
'30, 30' : 0.13000000E+01,
|
|
'31, 1' : -0.33350710E-01,
|
|
'31, 2' : -0.40921765E-01,
|
|
'31, 3' : 0.10287216E+00,
|
|
'31, 6' : 0.11321041E+00,
|
|
'31, 9' : 0.37995372E+00,
|
|
'31, 10' : -0.84224812E-01,
|
|
'31, 11' : -0.84224812E-01,
|
|
'31, 12' : 0.18746183E+00,
|
|
'31, 16' : -0.13593372E+00,
|
|
'31, 17' : -0.43000898E+00,
|
|
'31, 18' : 0.48103667E+00,
|
|
'31, 19' : 0.23967185E+00,
|
|
'31, 29' : -0.10000000E+00,
|
|
'31, 30' : -0.10000000E+00,
|
|
'31, 31' : 0.13000000E+01,
|
|
'32, 13' : -0.45082377E-02,
|
|
'32, 32' : 0.21000000E+01,
|
|
'33, 4' : 0.11876114E-01,
|
|
'33, 7' : -0.15111209E+00,
|
|
'33, 14' : -0.61577516E-01,
|
|
'33, 33' : 0.21000000E+01,
|
|
'34, 5' : 0.11876114E-01,
|
|
'34, 8' : -0.15111209E+00,
|
|
'34, 15' : -0.61577516E-01,
|
|
'34, 34' : 0.21000000E+01,
|
|
},
|
|
'F-.ezfio' : {
|
|
'1, 1' : 0.37571071E+02,
|
|
'2, 1' : -0.34632564E+01,
|
|
'2, 2' : 0.24269369E+01,
|
|
'3, 1' : 0.20837271E+00,
|
|
'3, 2' : 0.70081001E+00,
|
|
'3, 3' : 0.58455000E+00,
|
|
'4, 4' : 0.56610775E+01,
|
|
'5, 5' : 0.56610775E+01,
|
|
'6, 6' : 0.56610775E+01,
|
|
'7, 4' : 0.69140601E+00,
|
|
'7, 7' : 0.86775000E+00,
|
|
'8, 5' : 0.69140601E+00,
|
|
'8, 8' : 0.86775000E+00,
|
|
'9, 6' : 0.69140601E+00,
|
|
'9, 9' : 0.86775000E+00,
|
|
'10, 1' : -0.10584537E+01,
|
|
'10, 2' : 0.96509580E+00,
|
|
'10, 3' : 0.51858638E+00,
|
|
'10, 10' : 0.35533333E+01,
|
|
'11, 1' : -0.10584537E+01,
|
|
'11, 2' : 0.96509580E+00,
|
|
'11, 3' : 0.51858638E+00,
|
|
'11, 10' : -0.27333333E+00,
|
|
'11, 11' : 0.35533333E+01,
|
|
'12, 1' : -0.10584537E+01,
|
|
'12, 2' : 0.96509580E+00,
|
|
'12, 3' : 0.51858638E+00,
|
|
'12, 10' : -0.27333333E+00,
|
|
'12, 11' : -0.27333333E+00,
|
|
'12, 12' : 0.35533333E+01,
|
|
'13, 13' : 0.57400000E+01,
|
|
'14, 14' : 0.57400000E+01,
|
|
'15, 15' : 0.57400000E+01,
|
|
},
|
|
'F.ezfio' : {
|
|
'1, 1' : 0.37571071E+02,
|
|
'2, 1' : -0.34632564E+01,
|
|
'2, 2' : 0.24269369E+01,
|
|
'3, 1' : 0.20837271E+00,
|
|
'3, 2' : 0.70081001E+00,
|
|
'3, 3' : 0.58455000E+00,
|
|
'4, 4' : 0.56610775E+01,
|
|
'5, 5' : 0.56610775E+01,
|
|
'6, 6' : 0.56610775E+01,
|
|
'7, 4' : 0.69140601E+00,
|
|
'7, 7' : 0.86775000E+00,
|
|
'8, 5' : 0.69140601E+00,
|
|
'8, 8' : 0.86775000E+00,
|
|
'9, 6' : 0.69140601E+00,
|
|
'9, 9' : 0.86775000E+00,
|
|
'10, 1' : -0.10584537E+01,
|
|
'10, 2' : 0.96509580E+00,
|
|
'10, 3' : 0.51858638E+00,
|
|
'10, 10' : 0.35533333E+01,
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
'18, 14' : -0.29235908E+00,
|
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|
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|
|
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|
|
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|
|
'19, 19' : 0.18175000E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
|
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|
|
'17, 17' : 0.65450000E+00,
|
|
'18, 18' : 0.65450000E+00,
|
|
'19, 19' : 0.65450000E+00,
|
|
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|
|
'20, 2' : -0.29062897E-03,
|
|
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|
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|
|
'20, 7' : 0.23043066E-02,
|
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|
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|
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|
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|
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|
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|
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'21, 1' : 0.51080059E-04,
|
|
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|
|
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|
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|
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|
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|
|
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|
|
'21, 14' : -0.31872878E-01,
|
|
'21, 15' : -0.31872878E-01,
|
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|
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'21, 20' : -0.34632564E+01,
|
|
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|
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|
|
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|
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|
|
'22, 4' : 0.23798362E-01,
|
|
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|
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|
|
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|
|
'22, 14' : -0.42241640E-01,
|
|
'22, 15' : -0.42241640E-01,
|
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|
|
'22, 20' : 0.20837271E+00,
|
|
'22, 21' : 0.70081001E+00,
|
|
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|
|
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|
|
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|
|
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|
|
'23, 18' : -0.65324989E-01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'26, 23' : 0.69140601E+00,
|
|
'26, 26' : 0.86775000E+00,
|
|
'27, 6' : -0.42395381E-02,
|
|
'27, 9' : 0.72500789E-01,
|
|
'27, 12' : 0.30621644E-01,
|
|
'27, 19' : -0.23001006E+00,
|
|
'27, 24' : 0.69140601E+00,
|
|
'27, 27' : 0.86775000E+00,
|
|
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|
|
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|
|
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|
|
'28, 4' : 0.19522217E-01,
|
|
'28, 7' : -0.58048341E-01,
|
|
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|
|
'28, 13' : -0.58326788E-02,
|
|
'28, 14' : -0.22720259E-01,
|
|
'28, 15' : -0.22720259E-01,
|
|
'28, 16' : 0.22875499E+00,
|
|
'28, 25' : 0.69140601E+00,
|
|
'28, 28' : 0.86775000E+00,
|
|
'29, 1' : 0.35424514E-04,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'29, 13' : -0.26652490E-01,
|
|
'29, 14' : -0.18200578E-01,
|
|
'29, 15' : -0.28433041E-01,
|
|
'29, 16' : 0.12535965E+00,
|
|
'29, 20' : -0.10584537E+01,
|
|
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|
|
'29, 22' : 0.51858638E+00,
|
|
'29, 29' : 0.35533333E+01,
|
|
'30, 1' : 0.35424514E-04,
|
|
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|
|
'30, 3' : 0.10647167E-01,
|
|
'30, 4' : 0.10117279E-01,
|
|
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|
|
'30, 10' : -0.59548090E-01,
|
|
'30, 13' : -0.26652490E-01,
|
|
'30, 14' : -0.28433041E-01,
|
|
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|
|
'30, 16' : 0.12535965E+00,
|
|
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},
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},
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},
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},
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|
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},
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|
|
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|
|
},
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|
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|
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|
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|
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|
|
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|
|
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|
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|
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|
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|
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|
|
},
|
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|
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'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
},
|
|
'N+.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
},
|
|
'NF.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 2' : -0.16081016E-01,
|
|
'16, 3' : 0.17511273E-02,
|
|
'16, 6' : -0.28684154E-01,
|
|
'16, 9' : 0.36728394E-01,
|
|
'16, 10' : -0.54841037E-02,
|
|
'16, 11' : -0.54841037E-02,
|
|
'16, 12' : -0.55659583E-01,
|
|
'16, 16' : 0.37571071E+02,
|
|
'17, 1' : -0.78421725E-02,
|
|
'17, 2' : -0.73821061E-01,
|
|
'17, 3' : 0.21989097E-01,
|
|
'17, 6' : -0.67477112E-01,
|
|
'17, 9' : 0.18733993E+00,
|
|
'17, 10' : -0.63673117E-01,
|
|
'17, 11' : -0.63673117E-01,
|
|
'17, 12' : 0.20976482E-01,
|
|
'17, 16' : -0.34632564E+01,
|
|
'17, 17' : 0.24269369E+01,
|
|
'18, 1' : -0.15442904E-01,
|
|
'18, 2' : -0.59936029E-02,
|
|
'18, 3' : 0.67335899E-01,
|
|
'18, 6' : 0.93237532E-01,
|
|
'18, 9' : 0.26696690E+00,
|
|
'18, 10' : -0.44905596E-01,
|
|
'18, 11' : -0.44905596E-01,
|
|
'18, 12' : 0.16391420E+00,
|
|
'18, 16' : 0.20837271E+00,
|
|
'18, 17' : 0.70081001E+00,
|
|
'18, 18' : 0.58455000E+00,
|
|
'19, 4' : -0.21359921E-01,
|
|
'19, 7' : 0.50019213E-01,
|
|
'19, 14' : 0.17380463E-01,
|
|
'19, 19' : 0.56610775E+01,
|
|
'20, 5' : -0.21359921E-01,
|
|
'20, 8' : 0.50019213E-01,
|
|
'20, 15' : 0.17380463E-01,
|
|
'20, 20' : 0.56610775E+01,
|
|
'21, 1' : 0.18329932E-01,
|
|
'21, 2' : 0.42318719E-01,
|
|
'21, 3' : -0.59181187E-01,
|
|
'21, 6' : -0.28059182E-01,
|
|
'21, 9' : -0.15962591E+00,
|
|
'21, 10' : 0.73252434E-01,
|
|
'21, 11' : 0.73252434E-01,
|
|
'21, 12' : -0.30430938E+00,
|
|
'21, 21' : 0.56610775E+01,
|
|
'22, 4' : 0.69247041E-01,
|
|
'22, 7' : 0.18038819E+00,
|
|
'22, 14' : 0.22673628E+00,
|
|
'22, 19' : 0.69140601E+00,
|
|
'22, 22' : 0.86775000E+00,
|
|
'23, 5' : 0.69247041E-01,
|
|
'23, 8' : 0.18038819E+00,
|
|
'23, 15' : 0.22673628E+00,
|
|
'23, 20' : 0.69140601E+00,
|
|
'23, 23' : 0.86775000E+00,
|
|
'24, 1' : -0.25635227E-01,
|
|
'24, 2' : -0.20954583E+00,
|
|
'24, 3' : -0.21418257E+00,
|
|
'24, 6' : -0.37533836E+00,
|
|
'24, 9' : -0.30394384E+00,
|
|
'24, 10' : -0.86093498E-01,
|
|
'24, 11' : -0.86093498E-01,
|
|
'24, 12' : -0.42454491E+00,
|
|
'24, 21' : 0.69140601E+00,
|
|
'24, 24' : 0.86775000E+00,
|
|
'25, 1' : -0.14523036E-02,
|
|
'25, 2' : -0.69303995E-01,
|
|
'25, 3' : 0.77996608E-02,
|
|
'25, 6' : -0.86999004E-01,
|
|
'25, 9' : 0.14584241E+00,
|
|
'25, 10' : -0.41329315E-01,
|
|
'25, 11' : -0.43114367E-01,
|
|
'25, 12' : -0.97486877E-01,
|
|
'25, 16' : -0.10584537E+01,
|
|
'25, 17' : 0.96509580E+00,
|
|
'25, 18' : 0.51858638E+00,
|
|
'25, 25' : 0.35533333E+01,
|
|
'26, 1' : -0.14523036E-02,
|
|
'26, 2' : -0.69303995E-01,
|
|
'26, 3' : 0.77996608E-02,
|
|
'26, 6' : -0.86999004E-01,
|
|
'26, 9' : 0.14584241E+00,
|
|
'26, 10' : -0.43114367E-01,
|
|
'26, 11' : -0.41329315E-01,
|
|
'26, 12' : -0.97486877E-01,
|
|
'26, 16' : -0.10584537E+01,
|
|
'26, 17' : 0.96509580E+00,
|
|
'26, 18' : 0.51858638E+00,
|
|
'26, 25' : -0.27333333E+00,
|
|
'26, 26' : 0.35533333E+01,
|
|
'27, 1' : -0.32317884E-01,
|
|
'27, 2' : -0.31277104E-01,
|
|
'27, 3' : 0.54838575E-01,
|
|
'27, 6' : 0.84677002E-01,
|
|
'27, 9' : 0.20191459E+00,
|
|
'27, 10' : -0.10666954E+00,
|
|
'27, 11' : -0.10666954E+00,
|
|
'27, 12' : 0.49940971E+00,
|
|
'27, 16' : -0.10584537E+01,
|
|
'27, 17' : 0.96509580E+00,
|
|
'27, 18' : 0.51858638E+00,
|
|
'27, 25' : -0.27333333E+00,
|
|
'27, 26' : -0.27333333E+00,
|
|
'27, 27' : 0.35533333E+01,
|
|
'28, 13' : 0.26775779E-02,
|
|
'28, 28' : 0.57400000E+01,
|
|
'29, 4' : 0.35511905E-02,
|
|
'29, 7' : -0.66488701E-01,
|
|
'29, 14' : -0.21533510E+00,
|
|
'29, 29' : 0.57400000E+01,
|
|
'30, 5' : 0.35511905E-02,
|
|
'30, 8' : -0.66488701E-01,
|
|
'30, 15' : -0.21533510E+00,
|
|
'30, 30' : 0.57400000E+01,
|
|
},
|
|
'NH2-.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.10621657E-01,
|
|
'16, 2' : 0.47127498E-01,
|
|
'16, 3' : 0.12731745E+00,
|
|
'16, 5' : 0.15656038E+00,
|
|
'16, 6' : -0.13793027E+00,
|
|
'16, 8' : 0.26334105E+00,
|
|
'16, 9' : -0.23200443E+00,
|
|
'16, 10' : -0.46043645E-01,
|
|
'16, 11' : 0.18981784E+00,
|
|
'16, 12' : 0.13702437E+00,
|
|
'16, 15' : -0.35991121E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.18053272E-01,
|
|
'17, 2' : 0.90203651E-01,
|
|
'17, 3' : 0.12829151E+00,
|
|
'17, 5' : 0.48138968E-01,
|
|
'17, 6' : -0.42410608E-01,
|
|
'17, 8' : 0.11811361E+00,
|
|
'17, 9' : -0.10405853E+00,
|
|
'17, 10' : 0.72033395E-01,
|
|
'17, 11' : 0.88828613E-01,
|
|
'17, 12' : 0.85069297E-01,
|
|
'17, 15' : -0.25628547E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.13113112E+00,
|
|
'18, 7' : 0.20740277E+00,
|
|
'18, 13' : 0.42152153E+00,
|
|
'18, 14' : -0.37136202E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : 0.65564367E-02,
|
|
'19, 2' : -0.25447377E+00,
|
|
'19, 3' : -0.14931685E+00,
|
|
'19, 5' : -0.36686988E+00,
|
|
'19, 6' : 0.43874071E+00,
|
|
'19, 8' : -0.31943234E-01,
|
|
'19, 9' : 0.21086471E+00,
|
|
'19, 10' : -0.12540539E-01,
|
|
'19, 11' : -0.15236921E+00,
|
|
'19, 12' : -0.49885589E+00,
|
|
'19, 15' : 0.58473263E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.57762448E-02,
|
|
'20, 2' : 0.22419233E+00,
|
|
'20, 3' : 0.13154870E+00,
|
|
'20, 5' : 0.43874071E+00,
|
|
'20, 6' : -0.25540106E+00,
|
|
'20, 8' : 0.21086471E+00,
|
|
'20, 9' : 0.21630185E-01,
|
|
'20, 10' : 0.11048261E-01,
|
|
'20, 11' : 0.56304976E+00,
|
|
'20, 12' : 0.10681948E-01,
|
|
'20, 15' : -0.42080136E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.10621657E-01,
|
|
'21, 2' : 0.47127498E-01,
|
|
'21, 3' : 0.12731745E+00,
|
|
'21, 5' : -0.15656038E+00,
|
|
'21, 6' : -0.13793027E+00,
|
|
'21, 8' : -0.26334105E+00,
|
|
'21, 9' : -0.23200443E+00,
|
|
'21, 10' : -0.46043645E-01,
|
|
'21, 11' : 0.18981784E+00,
|
|
'21, 12' : 0.13702437E+00,
|
|
'21, 15' : 0.35991121E+00,
|
|
'21, 16' : -0.33081189E-01,
|
|
'21, 17' : 0.35227437E-01,
|
|
'21, 19' : 0.12573551E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.18053272E-01,
|
|
'22, 2' : 0.90203651E-01,
|
|
'22, 3' : 0.12829151E+00,
|
|
'22, 5' : -0.48138968E-01,
|
|
'22, 6' : -0.42410608E-01,
|
|
'22, 8' : -0.11811361E+00,
|
|
'22, 9' : -0.10405853E+00,
|
|
'22, 10' : 0.72033395E-01,
|
|
'22, 11' : 0.88828613E-01,
|
|
'22, 12' : 0.85069297E-01,
|
|
'22, 15' : 0.25628547E-01,
|
|
'22, 16' : 0.35227437E-01,
|
|
'22, 17' : 0.67894775E-01,
|
|
'22, 19' : -0.55655326E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 4' : 0.13113112E+00,
|
|
'23, 7' : 0.20740277E+00,
|
|
'23, 13' : -0.42152153E+00,
|
|
'23, 14' : -0.37136202E+00,
|
|
'23, 18' : -0.21017856E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.65564367E-02,
|
|
'24, 2' : 0.25447377E+00,
|
|
'24, 3' : 0.14931685E+00,
|
|
'24, 5' : -0.36686988E+00,
|
|
'24, 6' : -0.43874071E+00,
|
|
'24, 8' : -0.31943234E-01,
|
|
'24, 9' : -0.21086471E+00,
|
|
'24, 10' : 0.12540539E-01,
|
|
'24, 11' : 0.15236921E+00,
|
|
'24, 12' : 0.49885589E+00,
|
|
'24, 15' : 0.58473263E+00,
|
|
'24, 16' : -0.12573551E-01,
|
|
'24, 17' : 0.55655326E-01,
|
|
'24, 19' : -0.70484654E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.57762448E-02,
|
|
'25, 2' : 0.22419233E+00,
|
|
'25, 3' : 0.13154870E+00,
|
|
'25, 5' : -0.43874071E+00,
|
|
'25, 6' : -0.25540106E+00,
|
|
'25, 8' : -0.21086471E+00,
|
|
'25, 9' : 0.21630185E-01,
|
|
'25, 10' : 0.11048261E-01,
|
|
'25, 11' : 0.56304976E+00,
|
|
'25, 12' : 0.10681948E-01,
|
|
'25, 15' : 0.42080136E+00,
|
|
'25, 20' : -0.21017856E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
},
|
|
'NH2.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.96031299E-02,
|
|
'16, 2' : 0.55789989E-01,
|
|
'16, 3' : 0.13289477E+00,
|
|
'16, 5' : 0.17359728E+00,
|
|
'16, 6' : -0.14031943E+00,
|
|
'16, 8' : 0.27680691E+00,
|
|
'16, 9' : -0.22374423E+00,
|
|
'16, 10' : -0.44165717E-01,
|
|
'16, 11' : 0.22032139E+00,
|
|
'16, 12' : 0.12863849E+00,
|
|
'16, 15' : -0.37028834E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.18609657E-01,
|
|
'17, 2' : 0.92549701E-01,
|
|
'17, 3' : 0.13072288E+00,
|
|
'17, 5' : 0.50086069E-01,
|
|
'17, 6' : -0.40484787E-01,
|
|
'17, 8' : 0.12218847E+00,
|
|
'17, 9' : -0.98765468E-01,
|
|
'17, 10' : 0.74102371E-01,
|
|
'17, 11' : 0.91874812E-01,
|
|
'17, 12' : 0.85714100E-01,
|
|
'17, 15' : -0.24881846E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.14620502E+00,
|
|
'18, 7' : 0.21445576E+00,
|
|
'18, 13' : 0.46290633E+00,
|
|
'18, 14' : -0.37416919E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : -0.90191961E-03,
|
|
'19, 2' : -0.28202490E+00,
|
|
'19, 3' : -0.15751893E+00,
|
|
'19, 5' : -0.41573347E+00,
|
|
'19, 6' : 0.45421732E+00,
|
|
'19, 8' : -0.41660966E-01,
|
|
'19, 9' : 0.20702026E+00,
|
|
'19, 10' : -0.20783597E-01,
|
|
'19, 11' : -0.19541221E+00,
|
|
'19, 12' : -0.48410883E+00,
|
|
'19, 15' : 0.61865346E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : 0.72902552E-03,
|
|
'20, 2' : 0.22796195E+00,
|
|
'20, 3' : 0.12732323E+00,
|
|
'20, 5' : 0.45421732E+00,
|
|
'20, 6' : -0.22094080E+00,
|
|
'20, 8' : 0.20702026E+00,
|
|
'20, 9' : 0.47120390E-01,
|
|
'20, 10' : 0.16799471E-01,
|
|
'20, 11' : 0.59000590E+00,
|
|
'20, 12' : -0.40746102E-01,
|
|
'20, 15' : -0.33959651E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.96031299E-02,
|
|
'21, 2' : 0.55789989E-01,
|
|
'21, 3' : 0.13289477E+00,
|
|
'21, 5' : -0.17359728E+00,
|
|
'21, 6' : -0.14031943E+00,
|
|
'21, 8' : -0.27680691E+00,
|
|
'21, 9' : -0.22374423E+00,
|
|
'21, 10' : -0.44165717E-01,
|
|
'21, 11' : 0.22032139E+00,
|
|
'21, 12' : 0.12863849E+00,
|
|
'21, 15' : 0.37028834E+00,
|
|
'21, 16' : -0.33774894E-01,
|
|
'21, 17' : 0.32204774E-01,
|
|
'21, 19' : 0.17819322E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.18609657E-01,
|
|
'22, 2' : 0.92549701E-01,
|
|
'22, 3' : 0.13072288E+00,
|
|
'22, 5' : -0.50086069E-01,
|
|
'22, 6' : -0.40484787E-01,
|
|
'22, 8' : -0.12218847E+00,
|
|
'22, 9' : -0.98765468E-01,
|
|
'22, 10' : 0.74102371E-01,
|
|
'22, 11' : 0.91874812E-01,
|
|
'22, 12' : 0.85714100E-01,
|
|
'22, 15' : 0.24881846E-01,
|
|
'22, 16' : 0.32204774E-01,
|
|
'22, 17' : 0.64992853E-01,
|
|
'22, 19' : -0.53440312E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 4' : 0.14620502E+00,
|
|
'23, 7' : 0.21445576E+00,
|
|
'23, 13' : -0.46290633E+00,
|
|
'23, 14' : -0.37416919E+00,
|
|
'23, 18' : -0.21716273E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.90191961E-03,
|
|
'24, 2' : 0.28202490E+00,
|
|
'24, 3' : 0.15751893E+00,
|
|
'24, 5' : -0.41573347E+00,
|
|
'24, 6' : -0.45421732E+00,
|
|
'24, 8' : -0.41660966E-01,
|
|
'24, 9' : -0.20702026E+00,
|
|
'24, 10' : 0.20783597E-01,
|
|
'24, 11' : 0.19541221E+00,
|
|
'24, 12' : 0.48410883E+00,
|
|
'24, 15' : 0.61865346E+00,
|
|
'24, 16' : -0.17819322E-01,
|
|
'24, 17' : 0.53440312E-01,
|
|
'24, 19' : -0.45521557E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : 0.72902552E-03,
|
|
'25, 2' : 0.22796195E+00,
|
|
'25, 3' : 0.12732323E+00,
|
|
'25, 5' : -0.45421732E+00,
|
|
'25, 6' : -0.22094080E+00,
|
|
'25, 8' : -0.20702026E+00,
|
|
'25, 9' : 0.47120390E-01,
|
|
'25, 10' : 0.16799471E-01,
|
|
'25, 11' : 0.59000590E+00,
|
|
'25, 12' : -0.40746102E-01,
|
|
'25, 15' : 0.33959651E+00,
|
|
'25, 20' : -0.21716273E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
},
|
|
'NH3.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.86594115E-02,
|
|
'16, 2' : 0.63671196E-01,
|
|
'16, 3' : 0.13775699E+00,
|
|
'16, 4' : 0.21746880E+00,
|
|
'16, 5' : -0.92032759E-01,
|
|
'16, 7' : 0.33153138E+00,
|
|
'16, 8' : -0.14030402E+00,
|
|
'16, 10' : 0.34191167E+00,
|
|
'16, 11' : 0.26423970E-01,
|
|
'16, 12' : -0.42406722E-01,
|
|
'16, 13' : -0.28170677E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.19090984E-01,
|
|
'17, 2' : 0.94573242E-01,
|
|
'17, 3' : 0.13281050E+00,
|
|
'17, 4' : 0.59473576E-01,
|
|
'17, 5' : -0.25169207E-01,
|
|
'17, 7' : 0.14438966E+00,
|
|
'17, 8' : -0.61105680E-01,
|
|
'17, 10' : 0.10047054E+00,
|
|
'17, 11' : 0.80291121E-01,
|
|
'17, 12' : 0.75888530E-01,
|
|
'17, 13' : -0.18018700E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 1' : -0.98102981E-02,
|
|
'18, 2' : -0.35278581E+00,
|
|
'18, 3' : -0.18923002E+00,
|
|
'18, 4' : -0.66039983E+00,
|
|
'18, 5' : 0.34718306E+00,
|
|
'18, 7' : -0.13701185E+00,
|
|
'18, 8' : 0.15133822E+00,
|
|
'18, 10' : -0.56082358E+00,
|
|
'18, 11' : -0.24637075E+00,
|
|
'18, 12' : -0.32874304E-01,
|
|
'18, 13' : 0.63038808E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : 0.41517165E-02,
|
|
'19, 2' : 0.14929889E+00,
|
|
'19, 3' : 0.80082114E-01,
|
|
'19, 4' : 0.34718306E+00,
|
|
'19, 5' : 0.13048541E-01,
|
|
'19, 7' : 0.15133822E+00,
|
|
'19, 8' : 0.15654647E+00,
|
|
'19, 10' : 0.51839382E+00,
|
|
'19, 11' : -0.17678931E+00,
|
|
'19, 12' : 0.13912400E-01,
|
|
'19, 13' : 0.20535380E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 6' : 0.15997635E+00,
|
|
'20, 9' : 0.22059278E+00,
|
|
'20, 14' : 0.57514050E+00,
|
|
'20, 15' : -0.24339936E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.86581262E-02,
|
|
'21, 2' : 0.63681851E-01,
|
|
'21, 3' : 0.13776344E+00,
|
|
'21, 4' : -0.10874445E+00,
|
|
'21, 5' : -0.92041268E-01,
|
|
'21, 6' : 0.18834521E+00,
|
|
'21, 7' : -0.16577130E+00,
|
|
'21, 8' : -0.14030877E+00,
|
|
'21, 9' : 0.28711561E+00,
|
|
'21, 10' : 0.53683425E-01,
|
|
'21, 11' : 0.26432210E-01,
|
|
'21, 12' : 0.24584143E+00,
|
|
'21, 13' : 0.14086532E+00,
|
|
'21, 14' : -0.28825448E+00,
|
|
'21, 15' : -0.24397849E+00,
|
|
'21, 16' : -0.34018293E-01,
|
|
'21, 17' : 0.30550612E-01,
|
|
'21, 18' : 0.17658766E-01,
|
|
'21, 20' : -0.10194984E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.19091620E-01,
|
|
'22, 2' : 0.94575913E-01,
|
|
'22, 3' : 0.13281325E+00,
|
|
'22, 4' : -0.29737460E-01,
|
|
'22, 5' : -0.25169776E-01,
|
|
'22, 6' : 0.51505230E-01,
|
|
'22, 7' : -0.72196005E-01,
|
|
'22, 8' : -0.61106674E-01,
|
|
'22, 9' : 0.12504336E+00,
|
|
'22, 10' : 0.82036514E-01,
|
|
'22, 11' : 0.80293568E-01,
|
|
'22, 12' : 0.94326646E-01,
|
|
'22, 13' : 0.90095308E-02,
|
|
'22, 14' : -0.18436317E-01,
|
|
'22, 15' : -0.15604492E-01,
|
|
'22, 16' : 0.30550612E-01,
|
|
'22, 17' : 0.63375169E-01,
|
|
'22, 18' : -0.45192812E-01,
|
|
'22, 20' : 0.26091291E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 1' : 0.49112885E-02,
|
|
'23, 2' : 0.17640877E+00,
|
|
'23, 3' : 0.94618586E-01,
|
|
'23, 4' : -0.45117606E-01,
|
|
'23, 5' : -0.17360725E+00,
|
|
'23, 6' : 0.35525470E+00,
|
|
'23, 7' : 0.13119686E+00,
|
|
'23, 8' : -0.75671562E-01,
|
|
'23, 9' : 0.15484767E+00,
|
|
'23, 10' : -0.16662270E+00,
|
|
'23, 11' : 0.12319903E+00,
|
|
'23, 12' : 0.46347265E+00,
|
|
'23, 13' : -0.24956425E-01,
|
|
'23, 14' : 0.51068648E-01,
|
|
'23, 15' : -0.37837720E+00,
|
|
'23, 16' : -0.17658766E-01,
|
|
'23, 17' : 0.45192812E-01,
|
|
'23, 18' : -0.30110927E-01,
|
|
'23, 20' : 0.47401034E-02,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.41569129E-02,
|
|
'24, 2' : 0.14931232E+00,
|
|
'24, 3' : 0.80085139E-01,
|
|
'24, 4' : -0.17360725E+00,
|
|
'24, 5' : 0.13053893E-01,
|
|
'24, 6' : 0.30068745E+00,
|
|
'24, 7' : -0.75671562E-01,
|
|
'24, 8' : 0.15655253E+00,
|
|
'24, 9' : 0.13106302E+00,
|
|
'24, 10' : 0.14004692E+00,
|
|
'24, 11' : -0.17680070E+00,
|
|
'24, 12' : 0.39228309E+00,
|
|
'24, 13' : -0.10268688E+00,
|
|
'24, 14' : -0.37837720E+00,
|
|
'24, 15' : 0.17785350E+00,
|
|
'24, 19' : -0.21900578E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.85063432E-02,
|
|
'25, 2' : -0.30553969E+00,
|
|
'25, 3' : -0.16387923E+00,
|
|
'25, 4' : 0.35525470E+00,
|
|
'25, 5' : 0.30068745E+00,
|
|
'25, 6' : -0.45530552E+00,
|
|
'25, 7' : 0.15484767E+00,
|
|
'25, 8' : 0.13106302E+00,
|
|
'25, 9' : -0.47594988E-01,
|
|
'25, 10' : -0.28657978E+00,
|
|
'25, 11' : -0.21338051E+00,
|
|
'25, 12' : -0.22756383E+00,
|
|
'25, 13' : -0.37837720E+00,
|
|
'25, 14' : 0.48668432E+00,
|
|
'25, 15' : 0.41192944E+00,
|
|
'25, 16' : 0.10194984E-01,
|
|
'25, 17' : -0.26091291E-01,
|
|
'25, 18' : 0.47401034E-02,
|
|
'25, 20' : -0.24637195E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
'26, 1' : -0.86581262E-02,
|
|
'26, 2' : 0.63681851E-01,
|
|
'26, 3' : 0.13776344E+00,
|
|
'26, 4' : -0.10874445E+00,
|
|
'26, 5' : -0.92041268E-01,
|
|
'26, 6' : -0.18834521E+00,
|
|
'26, 7' : -0.16577130E+00,
|
|
'26, 8' : -0.14030877E+00,
|
|
'26, 9' : -0.28711561E+00,
|
|
'26, 10' : 0.53683425E-01,
|
|
'26, 11' : 0.26432210E-01,
|
|
'26, 12' : 0.24584143E+00,
|
|
'26, 13' : 0.14086532E+00,
|
|
'26, 14' : 0.28825448E+00,
|
|
'26, 15' : 0.24397849E+00,
|
|
'26, 16' : -0.34018293E-01,
|
|
'26, 17' : 0.30550612E-01,
|
|
'26, 18' : 0.17658766E-01,
|
|
'26, 20' : 0.10194984E-01,
|
|
'26, 21' : -0.34017878E-01,
|
|
'26, 22' : 0.30554123E-01,
|
|
'26, 25' : 0.20385200E-01,
|
|
'26, 26' : 0.96945723E+00,
|
|
'27, 1' : 0.19091620E-01,
|
|
'27, 2' : 0.94575913E-01,
|
|
'27, 3' : 0.13281325E+00,
|
|
'27, 4' : -0.29737460E-01,
|
|
'27, 5' : -0.25169776E-01,
|
|
'27, 6' : -0.51505230E-01,
|
|
'27, 7' : -0.72196005E-01,
|
|
'27, 8' : -0.61106674E-01,
|
|
'27, 9' : -0.12504336E+00,
|
|
'27, 10' : 0.82036514E-01,
|
|
'27, 11' : 0.80293568E-01,
|
|
'27, 12' : 0.94326646E-01,
|
|
'27, 13' : 0.90095308E-02,
|
|
'27, 14' : 0.18436317E-01,
|
|
'27, 15' : 0.15604492E-01,
|
|
'27, 16' : 0.30550612E-01,
|
|
'27, 17' : 0.63375169E-01,
|
|
'27, 18' : -0.45192812E-01,
|
|
'27, 20' : -0.26091291E-01,
|
|
'27, 21' : 0.30554123E-01,
|
|
'27, 22' : 0.63378625E-01,
|
|
'27, 25' : -0.52186469E-01,
|
|
'27, 26' : 0.20123413E+00,
|
|
'27, 27' : 0.18300000E+00,
|
|
'28, 1' : 0.49112885E-02,
|
|
'28, 2' : 0.17640877E+00,
|
|
'28, 3' : 0.94618586E-01,
|
|
'28, 4' : -0.45117606E-01,
|
|
'28, 5' : -0.17360725E+00,
|
|
'28, 6' : -0.35525470E+00,
|
|
'28, 7' : 0.13119686E+00,
|
|
'28, 8' : -0.75671562E-01,
|
|
'28, 9' : -0.15484767E+00,
|
|
'28, 10' : -0.16662270E+00,
|
|
'28, 11' : 0.12319903E+00,
|
|
'28, 12' : 0.46347265E+00,
|
|
'28, 13' : -0.24956425E-01,
|
|
'28, 14' : -0.51068648E-01,
|
|
'28, 15' : 0.37837720E+00,
|
|
'28, 16' : -0.17658766E-01,
|
|
'28, 17' : 0.45192812E-01,
|
|
'28, 18' : -0.30110927E-01,
|
|
'28, 20' : -0.47401034E-02,
|
|
'28, 23' : -0.21900329E-01,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : 0.41569129E-02,
|
|
'29, 2' : 0.14931232E+00,
|
|
'29, 3' : 0.80085139E-01,
|
|
'29, 4' : -0.17360725E+00,
|
|
'29, 5' : 0.13053893E-01,
|
|
'29, 6' : -0.30068745E+00,
|
|
'29, 7' : -0.75671562E-01,
|
|
'29, 8' : 0.15655253E+00,
|
|
'29, 9' : -0.13106302E+00,
|
|
'29, 10' : 0.14004692E+00,
|
|
'29, 11' : -0.17680070E+00,
|
|
'29, 12' : 0.39228309E+00,
|
|
'29, 13' : -0.10268688E+00,
|
|
'29, 14' : 0.37837720E+00,
|
|
'29, 15' : -0.17785350E+00,
|
|
'29, 19' : -0.21900578E-01,
|
|
'29, 24' : -0.21900329E-01,
|
|
'29, 29' : 0.18175000E+01,
|
|
'30, 1' : 0.85063432E-02,
|
|
'30, 2' : 0.30553969E+00,
|
|
'30, 3' : 0.16387923E+00,
|
|
'30, 4' : -0.35525470E+00,
|
|
'30, 5' : -0.30068745E+00,
|
|
'30, 6' : -0.45530552E+00,
|
|
'30, 7' : -0.15484767E+00,
|
|
'30, 8' : -0.13106302E+00,
|
|
'30, 9' : -0.47594988E-01,
|
|
'30, 10' : 0.28657978E+00,
|
|
'30, 11' : 0.21338051E+00,
|
|
'30, 12' : 0.22756383E+00,
|
|
'30, 13' : 0.37837720E+00,
|
|
'30, 14' : 0.48668432E+00,
|
|
'30, 15' : 0.41192944E+00,
|
|
'30, 16' : -0.10194984E-01,
|
|
'30, 17' : 0.26091291E-01,
|
|
'30, 18' : -0.47401034E-02,
|
|
'30, 20' : -0.24637195E-01,
|
|
'30, 21' : -0.20385200E-01,
|
|
'30, 22' : 0.52186469E-01,
|
|
'30, 25' : -0.32873681E-01,
|
|
'30, 30' : 0.18175000E+01,
|
|
},
|
|
'NH3+.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.92798567E-02,
|
|
'16, 2' : 0.58503376E-01,
|
|
'16, 3' : 0.13459033E+00,
|
|
'16, 6' : 0.22769961E+00,
|
|
'16, 9' : 0.35737301E+00,
|
|
'16, 10' : -0.43565156E-01,
|
|
'16, 11' : -0.43565156E-01,
|
|
'16, 12' : 0.39927354E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.18777891E-01,
|
|
'17, 2' : 0.93257600E-01,
|
|
'17, 3' : 0.13145419E+00,
|
|
'17, 6' : 0.64467997E-01,
|
|
'17, 9' : 0.15700648E+00,
|
|
'17, 10' : 0.74727060E-01,
|
|
'17, 11' : 0.74727060E-01,
|
|
'17, 12' : 0.10397291E+00,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.15094039E+00,
|
|
'18, 7' : 0.21659707E+00,
|
|
'18, 14' : 0.60542410E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 5' : 0.15094039E+00,
|
|
'19, 8' : 0.21659707E+00,
|
|
'19, 15' : 0.60542410E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.43781376E-02,
|
|
'20, 2' : -0.36977006E+00,
|
|
'20, 3' : -0.20358224E+00,
|
|
'20, 6' : -0.79154178E+00,
|
|
'20, 9' : -0.20626315E+00,
|
|
'20, 10' : -0.29828113E-01,
|
|
'20, 11' : -0.29828113E-01,
|
|
'20, 12' : -0.84512672E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.92799721E-02,
|
|
'21, 2' : 0.58502410E-01,
|
|
'21, 3' : 0.13458973E+00,
|
|
'21, 5' : 0.19718600E+00,
|
|
'21, 6' : -0.11385987E+00,
|
|
'21, 8' : 0.30948383E+00,
|
|
'21, 9' : -0.17870330E+00,
|
|
'21, 10' : -0.43565371E-01,
|
|
'21, 11' : 0.28854106E+00,
|
|
'21, 12' : 0.67164933E-01,
|
|
'21, 15' : -0.33214867E+00,
|
|
'21, 16' : -0.32528468E-01,
|
|
'21, 17' : 0.17168325E-01,
|
|
'21, 19' : -0.16708444E-01,
|
|
'21, 20' : 0.28941680E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.18777832E-01,
|
|
'22, 2' : 0.93257350E-01,
|
|
'22, 3' : 0.13145393E+00,
|
|
'22, 5' : 0.55829128E-01,
|
|
'22, 6' : -0.32237062E-01,
|
|
'22, 8' : 0.13596731E+00,
|
|
'22, 9' : -0.78510749E-01,
|
|
'22, 10' : 0.74726839E-01,
|
|
'22, 11' : 0.96659870E-01,
|
|
'22, 12' : 0.82039709E-01,
|
|
'22, 15' : -0.21935820E-01,
|
|
'22, 16' : 0.17168325E-01,
|
|
'22, 17' : 0.49331836E-01,
|
|
'22, 19' : 0.20360432E-01,
|
|
'22, 20' : -0.35267503E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 4' : 0.15093871E+00,
|
|
'23, 7' : 0.21659631E+00,
|
|
'23, 13' : 0.52429285E+00,
|
|
'23, 14' : -0.30273912E+00,
|
|
'23, 18' : -0.19100091E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.37904577E-02,
|
|
'24, 2' : -0.32021790E+00,
|
|
'24, 3' : -0.17630147E+00,
|
|
'24, 5' : -0.55587443E+00,
|
|
'24, 6' : 0.40813066E+00,
|
|
'24, 8' : -0.10052884E+00,
|
|
'24, 9' : 0.18311558E+00,
|
|
'24, 10' : -0.25830128E-01,
|
|
'24, 11' : -0.40395359E+00,
|
|
'24, 12' : -0.35375509E+00,
|
|
'24, 15' : 0.68091067E+00,
|
|
'24, 16' : 0.16708444E-01,
|
|
'24, 17' : -0.20360432E-01,
|
|
'24, 19' : -0.39625095E-02,
|
|
'24, 20' : -0.26220696E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : 0.21887001E-02,
|
|
'25, 2' : 0.18490140E+00,
|
|
'25, 3' : 0.10180064E+00,
|
|
'25, 5' : 0.40813066E+00,
|
|
'25, 6' : -0.84725605E-01,
|
|
'25, 8' : 0.18311558E+00,
|
|
'25, 9' : 0.11086104E+00,
|
|
'25, 10' : 0.14914928E-01,
|
|
'25, 11' : 0.58282540E+00,
|
|
'25, 12' : -0.14530645E+00,
|
|
'25, 15' : -0.43689850E-01,
|
|
'25, 16' : -0.28941680E-01,
|
|
'25, 17' : 0.35267503E-01,
|
|
'25, 19' : -0.26220696E-01,
|
|
'25, 20' : 0.26318321E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
'26, 1' : -0.92799721E-02,
|
|
'26, 2' : 0.58502410E-01,
|
|
'26, 3' : 0.13458973E+00,
|
|
'26, 5' : -0.19718600E+00,
|
|
'26, 6' : -0.11385987E+00,
|
|
'26, 8' : -0.30948383E+00,
|
|
'26, 9' : -0.17870330E+00,
|
|
'26, 10' : -0.43565371E-01,
|
|
'26, 11' : 0.28854106E+00,
|
|
'26, 12' : 0.67164933E-01,
|
|
'26, 15' : 0.33214867E+00,
|
|
'26, 16' : -0.32528468E-01,
|
|
'26, 17' : 0.17168325E-01,
|
|
'26, 19' : 0.16708444E-01,
|
|
'26, 20' : 0.28941680E-01,
|
|
'26, 21' : -0.32530613E-01,
|
|
'26, 22' : 0.17174672E-01,
|
|
'26, 24' : 0.33415569E-01,
|
|
'26, 26' : 0.96945723E+00,
|
|
'27, 1' : 0.18777832E-01,
|
|
'27, 2' : 0.93257350E-01,
|
|
'27, 3' : 0.13145393E+00,
|
|
'27, 5' : -0.55829128E-01,
|
|
'27, 6' : -0.32237062E-01,
|
|
'27, 8' : -0.13596731E+00,
|
|
'27, 9' : -0.78510749E-01,
|
|
'27, 10' : 0.74726839E-01,
|
|
'27, 11' : 0.96659870E-01,
|
|
'27, 12' : 0.82039709E-01,
|
|
'27, 15' : 0.21935820E-01,
|
|
'27, 16' : 0.17168325E-01,
|
|
'27, 17' : 0.49331836E-01,
|
|
'27, 19' : -0.20360432E-01,
|
|
'27, 20' : -0.35267503E-01,
|
|
'27, 21' : 0.17174672E-01,
|
|
'27, 22' : 0.49338987E-01,
|
|
'27, 24' : -0.40728818E-01,
|
|
'27, 26' : 0.20123413E+00,
|
|
'27, 27' : 0.18300000E+00,
|
|
'28, 4' : 0.15093871E+00,
|
|
'28, 7' : 0.21659631E+00,
|
|
'28, 13' : -0.52429285E+00,
|
|
'28, 14' : -0.30273912E+00,
|
|
'28, 18' : -0.19100091E-01,
|
|
'28, 23' : -0.19102924E-01,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : 0.37904577E-02,
|
|
'29, 2' : 0.32021790E+00,
|
|
'29, 3' : 0.17630147E+00,
|
|
'29, 5' : -0.55587443E+00,
|
|
'29, 6' : -0.40813066E+00,
|
|
'29, 8' : -0.10052884E+00,
|
|
'29, 9' : -0.18311558E+00,
|
|
'29, 10' : 0.25830128E-01,
|
|
'29, 11' : 0.40395359E+00,
|
|
'29, 12' : 0.35375509E+00,
|
|
'29, 15' : 0.68091067E+00,
|
|
'29, 16' : -0.16708444E-01,
|
|
'29, 17' : 0.20360432E-01,
|
|
'29, 19' : -0.39625095E-02,
|
|
'29, 20' : 0.26220696E-01,
|
|
'29, 21' : -0.33415569E-01,
|
|
'29, 22' : 0.40728818E-01,
|
|
'29, 24' : 0.41433327E-01,
|
|
'29, 29' : 0.18175000E+01,
|
|
'30, 1' : 0.21887001E-02,
|
|
'30, 2' : 0.18490140E+00,
|
|
'30, 3' : 0.10180064E+00,
|
|
'30, 5' : -0.40813066E+00,
|
|
'30, 6' : -0.84725605E-01,
|
|
'30, 8' : -0.18311558E+00,
|
|
'30, 9' : 0.11086104E+00,
|
|
'30, 10' : 0.14914928E-01,
|
|
'30, 11' : 0.58282540E+00,
|
|
'30, 12' : -0.14530645E+00,
|
|
'30, 15' : 0.43689850E-01,
|
|
'30, 16' : -0.28941680E-01,
|
|
'30, 17' : 0.35267503E-01,
|
|
'30, 19' : 0.26220696E-01,
|
|
'30, 20' : 0.26318321E-01,
|
|
'30, 25' : -0.19102924E-01,
|
|
'30, 30' : 0.18175000E+01,
|
|
},
|
|
'NH4+.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.92959994E-02,
|
|
'16, 2' : 0.58368241E-01,
|
|
'16, 3' : 0.13450643E+00,
|
|
'16, 4' : 0.13133401E+00,
|
|
'16, 5' : 0.13133401E+00,
|
|
'16, 6' : 0.13133401E+00,
|
|
'16, 7' : 0.20628847E+00,
|
|
'16, 8' : 0.20628847E+00,
|
|
'16, 9' : 0.20628847E+00,
|
|
'16, 10' : 0.10392635E+00,
|
|
'16, 11' : 0.10392635E+00,
|
|
'16, 12' : 0.10392635E+00,
|
|
'16, 13' : 0.25551481E+00,
|
|
'16, 14' : 0.25551481E+00,
|
|
'16, 15' : 0.25551481E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.18769577E-01,
|
|
'17, 2' : 0.93222631E-01,
|
|
'17, 3' : 0.13141809E+00,
|
|
'17, 4' : 0.37218789E-01,
|
|
'17, 5' : 0.37218789E-01,
|
|
'17, 6' : 0.37218789E-01,
|
|
'17, 7' : 0.90650889E-01,
|
|
'17, 8' : 0.90650889E-01,
|
|
'17, 9' : 0.90650889E-01,
|
|
'17, 10' : 0.84447104E-01,
|
|
'17, 11' : 0.84447104E-01,
|
|
'17, 12' : 0.84447104E-01,
|
|
'17, 13' : 0.16889066E-01,
|
|
'17, 14' : 0.16889066E-01,
|
|
'17, 15' : 0.16889066E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 1' : -0.24344454E-02,
|
|
'18, 2' : -0.21328311E+00,
|
|
'18, 3' : -0.11750879E+00,
|
|
'18, 4' : -0.16323591E+00,
|
|
'18, 5' : -0.31394032E+00,
|
|
'18, 6' : -0.31394032E+00,
|
|
'18, 7' : 0.75527676E-01,
|
|
'18, 8' : -0.14096347E+00,
|
|
'18, 9' : -0.14096347E+00,
|
|
'18, 10' : 0.94767201E-01,
|
|
'18, 11' : -0.30851197E+00,
|
|
'18, 12' : -0.30851197E+00,
|
|
'18, 13' : -0.15543451E+00,
|
|
'18, 14' : -0.15543451E+00,
|
|
'18, 15' : -0.50468452E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : -0.24344454E-02,
|
|
'19, 2' : -0.21328311E+00,
|
|
'19, 3' : -0.11750879E+00,
|
|
'19, 4' : -0.31394032E+00,
|
|
'19, 5' : -0.16323591E+00,
|
|
'19, 6' : -0.31394032E+00,
|
|
'19, 7' : -0.14096347E+00,
|
|
'19, 8' : 0.75527676E-01,
|
|
'19, 9' : -0.14096347E+00,
|
|
'19, 10' : -0.30851197E+00,
|
|
'19, 11' : 0.94767201E-01,
|
|
'19, 12' : -0.30851197E+00,
|
|
'19, 13' : -0.15543451E+00,
|
|
'19, 14' : -0.50468452E+00,
|
|
'19, 15' : -0.15543451E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.24344454E-02,
|
|
'20, 2' : -0.21328311E+00,
|
|
'20, 3' : -0.11750879E+00,
|
|
'20, 4' : -0.31394032E+00,
|
|
'20, 5' : -0.31394032E+00,
|
|
'20, 6' : -0.16323591E+00,
|
|
'20, 7' : -0.14096347E+00,
|
|
'20, 8' : -0.14096347E+00,
|
|
'20, 9' : 0.75527676E-01,
|
|
'20, 10' : -0.30851197E+00,
|
|
'20, 11' : -0.30851197E+00,
|
|
'20, 12' : 0.94767201E-01,
|
|
'20, 13' : -0.50468452E+00,
|
|
'20, 14' : -0.15543451E+00,
|
|
'20, 15' : -0.15543451E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.92959994E-02,
|
|
'21, 2' : 0.58368241E-01,
|
|
'21, 3' : 0.13450643E+00,
|
|
'21, 4' : -0.13133401E+00,
|
|
'21, 5' : -0.13133401E+00,
|
|
'21, 6' : 0.13133401E+00,
|
|
'21, 7' : -0.20628847E+00,
|
|
'21, 8' : -0.20628847E+00,
|
|
'21, 9' : 0.20628847E+00,
|
|
'21, 10' : 0.10392635E+00,
|
|
'21, 11' : 0.10392635E+00,
|
|
'21, 12' : 0.10392635E+00,
|
|
'21, 13' : 0.25551481E+00,
|
|
'21, 14' : -0.25551481E+00,
|
|
'21, 15' : -0.25551481E+00,
|
|
'21, 16' : -0.34174668E-01,
|
|
'21, 17' : 0.25518406E-01,
|
|
'21, 18' : 0.19030552E-01,
|
|
'21, 19' : 0.19030552E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.18769577E-01,
|
|
'22, 2' : 0.93222631E-01,
|
|
'22, 3' : 0.13141809E+00,
|
|
'22, 4' : -0.37218789E-01,
|
|
'22, 5' : -0.37218789E-01,
|
|
'22, 6' : 0.37218789E-01,
|
|
'22, 7' : -0.90650889E-01,
|
|
'22, 8' : -0.90650889E-01,
|
|
'22, 9' : 0.90650889E-01,
|
|
'22, 10' : 0.84447104E-01,
|
|
'22, 11' : 0.84447104E-01,
|
|
'22, 12' : 0.84447104E-01,
|
|
'22, 13' : 0.16889066E-01,
|
|
'22, 14' : -0.16889066E-01,
|
|
'22, 15' : -0.16889066E-01,
|
|
'22, 16' : 0.25518406E-01,
|
|
'22, 17' : 0.58310698E-01,
|
|
'22, 18' : -0.34052277E-01,
|
|
'22, 19' : -0.34052277E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 1' : 0.24344454E-02,
|
|
'23, 2' : 0.21328311E+00,
|
|
'23, 3' : 0.11750879E+00,
|
|
'23, 4' : -0.16323591E+00,
|
|
'23, 5' : -0.31394032E+00,
|
|
'23, 6' : 0.31394032E+00,
|
|
'23, 7' : 0.75527676E-01,
|
|
'23, 8' : -0.14096347E+00,
|
|
'23, 9' : 0.14096347E+00,
|
|
'23, 10' : -0.94767201E-01,
|
|
'23, 11' : 0.30851197E+00,
|
|
'23, 12' : 0.30851197E+00,
|
|
'23, 13' : 0.15543451E+00,
|
|
'23, 14' : -0.15543451E+00,
|
|
'23, 15' : -0.50468452E+00,
|
|
'23, 16' : -0.19030552E-01,
|
|
'23, 17' : 0.34052277E-01,
|
|
'23, 18' : -0.10253818E-01,
|
|
'23, 19' : 0.11423158E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.24344454E-02,
|
|
'24, 2' : 0.21328311E+00,
|
|
'24, 3' : 0.11750879E+00,
|
|
'24, 4' : -0.31394032E+00,
|
|
'24, 5' : -0.16323591E+00,
|
|
'24, 6' : 0.31394032E+00,
|
|
'24, 7' : -0.14096347E+00,
|
|
'24, 8' : 0.75527676E-01,
|
|
'24, 9' : 0.14096347E+00,
|
|
'24, 10' : 0.30851197E+00,
|
|
'24, 11' : -0.94767201E-01,
|
|
'24, 12' : 0.30851197E+00,
|
|
'24, 13' : 0.15543451E+00,
|
|
'24, 14' : -0.50468452E+00,
|
|
'24, 15' : -0.15543451E+00,
|
|
'24, 16' : -0.19030552E-01,
|
|
'24, 17' : 0.34052277E-01,
|
|
'24, 18' : 0.11423158E-01,
|
|
'24, 19' : -0.10253818E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : -0.24344454E-02,
|
|
'25, 2' : -0.21328311E+00,
|
|
'25, 3' : -0.11750879E+00,
|
|
'25, 4' : 0.31394032E+00,
|
|
'25, 5' : 0.31394032E+00,
|
|
'25, 6' : -0.16323591E+00,
|
|
'25, 7' : 0.14096347E+00,
|
|
'25, 8' : 0.14096347E+00,
|
|
'25, 9' : 0.75527676E-01,
|
|
'25, 10' : -0.30851197E+00,
|
|
'25, 11' : -0.30851197E+00,
|
|
'25, 12' : 0.94767201E-01,
|
|
'25, 13' : -0.50468452E+00,
|
|
'25, 14' : 0.15543451E+00,
|
|
'25, 15' : 0.15543451E+00,
|
|
'25, 20' : -0.21676976E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
'26, 1' : -0.92959994E-02,
|
|
'26, 2' : 0.58368241E-01,
|
|
'26, 3' : 0.13450643E+00,
|
|
'26, 4' : -0.13133401E+00,
|
|
'26, 5' : 0.13133401E+00,
|
|
'26, 6' : -0.13133401E+00,
|
|
'26, 7' : -0.20628847E+00,
|
|
'26, 8' : 0.20628847E+00,
|
|
'26, 9' : -0.20628847E+00,
|
|
'26, 10' : 0.10392635E+00,
|
|
'26, 11' : 0.10392635E+00,
|
|
'26, 12' : 0.10392635E+00,
|
|
'26, 13' : -0.25551481E+00,
|
|
'26, 14' : 0.25551481E+00,
|
|
'26, 15' : -0.25551481E+00,
|
|
'26, 16' : -0.34174668E-01,
|
|
'26, 17' : 0.25518406E-01,
|
|
'26, 18' : 0.19030552E-01,
|
|
'26, 20' : 0.19030552E-01,
|
|
'26, 21' : -0.34174668E-01,
|
|
'26, 22' : 0.25518406E-01,
|
|
'26, 24' : -0.19030552E-01,
|
|
'26, 25' : 0.19030552E-01,
|
|
'26, 26' : 0.96945723E+00,
|
|
'27, 1' : 0.18769577E-01,
|
|
'27, 2' : 0.93222631E-01,
|
|
'27, 3' : 0.13141809E+00,
|
|
'27, 4' : -0.37218789E-01,
|
|
'27, 5' : 0.37218789E-01,
|
|
'27, 6' : -0.37218789E-01,
|
|
'27, 7' : -0.90650889E-01,
|
|
'27, 8' : 0.90650889E-01,
|
|
'27, 9' : -0.90650889E-01,
|
|
'27, 10' : 0.84447104E-01,
|
|
'27, 11' : 0.84447104E-01,
|
|
'27, 12' : 0.84447104E-01,
|
|
'27, 13' : -0.16889066E-01,
|
|
'27, 14' : 0.16889066E-01,
|
|
'27, 15' : -0.16889066E-01,
|
|
'27, 16' : 0.25518406E-01,
|
|
'27, 17' : 0.58310698E-01,
|
|
'27, 18' : -0.34052277E-01,
|
|
'27, 20' : -0.34052277E-01,
|
|
'27, 21' : 0.25518406E-01,
|
|
'27, 22' : 0.58310698E-01,
|
|
'27, 24' : 0.34052277E-01,
|
|
'27, 25' : -0.34052277E-01,
|
|
'27, 26' : 0.20123413E+00,
|
|
'27, 27' : 0.18300000E+00,
|
|
'28, 1' : 0.24344454E-02,
|
|
'28, 2' : 0.21328311E+00,
|
|
'28, 3' : 0.11750879E+00,
|
|
'28, 4' : -0.16323591E+00,
|
|
'28, 5' : 0.31394032E+00,
|
|
'28, 6' : -0.31394032E+00,
|
|
'28, 7' : 0.75527676E-01,
|
|
'28, 8' : 0.14096347E+00,
|
|
'28, 9' : -0.14096347E+00,
|
|
'28, 10' : -0.94767201E-01,
|
|
'28, 11' : 0.30851197E+00,
|
|
'28, 12' : 0.30851197E+00,
|
|
'28, 13' : -0.15543451E+00,
|
|
'28, 14' : 0.15543451E+00,
|
|
'28, 15' : -0.50468452E+00,
|
|
'28, 16' : -0.19030552E-01,
|
|
'28, 17' : 0.34052277E-01,
|
|
'28, 18' : -0.10253818E-01,
|
|
'28, 20' : 0.11423158E-01,
|
|
'28, 23' : -0.21676976E-01,
|
|
'28, 28' : 0.18175000E+01,
|
|
'29, 1' : -0.24344454E-02,
|
|
'29, 2' : -0.21328311E+00,
|
|
'29, 3' : -0.11750879E+00,
|
|
'29, 4' : 0.31394032E+00,
|
|
'29, 5' : -0.16323591E+00,
|
|
'29, 6' : 0.31394032E+00,
|
|
'29, 7' : 0.14096347E+00,
|
|
'29, 8' : 0.75527676E-01,
|
|
'29, 9' : 0.14096347E+00,
|
|
'29, 10' : -0.30851197E+00,
|
|
'29, 11' : 0.94767201E-01,
|
|
'29, 12' : -0.30851197E+00,
|
|
'29, 13' : 0.15543451E+00,
|
|
'29, 14' : -0.50468452E+00,
|
|
'29, 15' : 0.15543451E+00,
|
|
'29, 19' : -0.21676976E-01,
|
|
'29, 21' : 0.19030552E-01,
|
|
'29, 22' : -0.34052277E-01,
|
|
'29, 24' : -0.10253818E-01,
|
|
'29, 25' : -0.11423158E-01,
|
|
'29, 29' : 0.18175000E+01,
|
|
'30, 1' : 0.24344454E-02,
|
|
'30, 2' : 0.21328311E+00,
|
|
'30, 3' : 0.11750879E+00,
|
|
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|
|
'30, 5' : 0.31394032E+00,
|
|
'30, 6' : -0.16323591E+00,
|
|
'30, 7' : -0.14096347E+00,
|
|
'30, 8' : 0.14096347E+00,
|
|
'30, 9' : 0.75527676E-01,
|
|
'30, 10' : 0.30851197E+00,
|
|
'30, 11' : 0.30851197E+00,
|
|
'30, 12' : -0.94767201E-01,
|
|
'30, 13' : -0.50468452E+00,
|
|
'30, 14' : 0.15543451E+00,
|
|
'30, 15' : -0.15543451E+00,
|
|
'30, 16' : -0.19030552E-01,
|
|
'30, 17' : 0.34052277E-01,
|
|
'30, 18' : 0.11423158E-01,
|
|
'30, 20' : -0.10253818E-01,
|
|
'30, 21' : -0.19030552E-01,
|
|
'30, 22' : 0.34052277E-01,
|
|
'30, 24' : -0.11423158E-01,
|
|
'30, 25' : -0.10253818E-01,
|
|
'30, 30' : 0.18175000E+01,
|
|
'31, 1' : -0.92959994E-02,
|
|
'31, 2' : 0.58368241E-01,
|
|
'31, 3' : 0.13450643E+00,
|
|
'31, 4' : 0.13133401E+00,
|
|
'31, 5' : -0.13133401E+00,
|
|
'31, 6' : -0.13133401E+00,
|
|
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|
|
'31, 8' : -0.20628847E+00,
|
|
'31, 9' : -0.20628847E+00,
|
|
'31, 10' : 0.10392635E+00,
|
|
'31, 11' : 0.10392635E+00,
|
|
'31, 12' : 0.10392635E+00,
|
|
'31, 13' : -0.25551481E+00,
|
|
'31, 14' : -0.25551481E+00,
|
|
'31, 15' : 0.25551481E+00,
|
|
'31, 16' : -0.34174668E-01,
|
|
'31, 17' : 0.25518406E-01,
|
|
'31, 19' : 0.19030552E-01,
|
|
'31, 20' : 0.19030552E-01,
|
|
'31, 21' : -0.34174668E-01,
|
|
'31, 22' : 0.25518406E-01,
|
|
'31, 23' : -0.19030552E-01,
|
|
'31, 25' : 0.19030552E-01,
|
|
'31, 26' : -0.34174668E-01,
|
|
'31, 27' : 0.25518406E-01,
|
|
'31, 28' : -0.19030552E-01,
|
|
'31, 29' : 0.19030552E-01,
|
|
'31, 31' : 0.96945723E+00,
|
|
'32, 1' : 0.18769577E-01,
|
|
'32, 2' : 0.93222631E-01,
|
|
'32, 3' : 0.13141809E+00,
|
|
'32, 4' : 0.37218789E-01,
|
|
'32, 5' : -0.37218789E-01,
|
|
'32, 6' : -0.37218789E-01,
|
|
'32, 7' : 0.90650889E-01,
|
|
'32, 8' : -0.90650889E-01,
|
|
'32, 9' : -0.90650889E-01,
|
|
'32, 10' : 0.84447104E-01,
|
|
'32, 11' : 0.84447104E-01,
|
|
'32, 12' : 0.84447104E-01,
|
|
'32, 13' : -0.16889066E-01,
|
|
'32, 14' : -0.16889066E-01,
|
|
'32, 15' : 0.16889066E-01,
|
|
'32, 16' : 0.25518406E-01,
|
|
'32, 17' : 0.58310698E-01,
|
|
'32, 19' : -0.34052277E-01,
|
|
'32, 20' : -0.34052277E-01,
|
|
'32, 21' : 0.25518406E-01,
|
|
'32, 22' : 0.58310698E-01,
|
|
'32, 23' : 0.34052277E-01,
|
|
'32, 25' : -0.34052277E-01,
|
|
'32, 26' : 0.25518406E-01,
|
|
'32, 27' : 0.58310698E-01,
|
|
'32, 28' : 0.34052277E-01,
|
|
'32, 29' : -0.34052277E-01,
|
|
'32, 31' : 0.20123413E+00,
|
|
'32, 32' : 0.18300000E+00,
|
|
'33, 1' : -0.24344454E-02,
|
|
'33, 2' : -0.21328311E+00,
|
|
'33, 3' : -0.11750879E+00,
|
|
'33, 4' : -0.16323591E+00,
|
|
'33, 5' : 0.31394032E+00,
|
|
'33, 6' : 0.31394032E+00,
|
|
'33, 7' : 0.75527676E-01,
|
|
'33, 8' : 0.14096347E+00,
|
|
'33, 9' : 0.14096347E+00,
|
|
'33, 10' : 0.94767201E-01,
|
|
'33, 11' : -0.30851197E+00,
|
|
'33, 12' : -0.30851197E+00,
|
|
'33, 13' : 0.15543451E+00,
|
|
'33, 14' : 0.15543451E+00,
|
|
'33, 15' : -0.50468452E+00,
|
|
'33, 18' : -0.21676976E-01,
|
|
'33, 21' : 0.19030552E-01,
|
|
'33, 22' : -0.34052277E-01,
|
|
'33, 23' : -0.10253818E-01,
|
|
'33, 25' : -0.11423158E-01,
|
|
'33, 26' : 0.19030552E-01,
|
|
'33, 27' : -0.34052277E-01,
|
|
'33, 28' : -0.10253818E-01,
|
|
'33, 29' : -0.11423158E-01,
|
|
'33, 33' : 0.18175000E+01,
|
|
'34, 1' : 0.24344454E-02,
|
|
'34, 2' : 0.21328311E+00,
|
|
'34, 3' : 0.11750879E+00,
|
|
'34, 4' : 0.31394032E+00,
|
|
'34, 5' : -0.16323591E+00,
|
|
'34, 6' : -0.31394032E+00,
|
|
'34, 7' : 0.14096347E+00,
|
|
'34, 8' : 0.75527676E-01,
|
|
'34, 9' : -0.14096347E+00,
|
|
'34, 10' : 0.30851197E+00,
|
|
'34, 11' : -0.94767201E-01,
|
|
'34, 12' : 0.30851197E+00,
|
|
'34, 13' : -0.15543451E+00,
|
|
'34, 14' : -0.50468452E+00,
|
|
'34, 15' : 0.15543451E+00,
|
|
'34, 16' : -0.19030552E-01,
|
|
'34, 17' : 0.34052277E-01,
|
|
'34, 19' : -0.10253818E-01,
|
|
'34, 20' : 0.11423158E-01,
|
|
'34, 24' : -0.21676976E-01,
|
|
'34, 26' : -0.19030552E-01,
|
|
'34, 27' : 0.34052277E-01,
|
|
'34, 28' : -0.11423158E-01,
|
|
'34, 29' : -0.10253818E-01,
|
|
'34, 34' : 0.18175000E+01,
|
|
'35, 1' : 0.24344454E-02,
|
|
'35, 2' : 0.21328311E+00,
|
|
'35, 3' : 0.11750879E+00,
|
|
'35, 4' : 0.31394032E+00,
|
|
'35, 5' : -0.31394032E+00,
|
|
'35, 6' : -0.16323591E+00,
|
|
'35, 7' : 0.14096347E+00,
|
|
'35, 8' : -0.14096347E+00,
|
|
'35, 9' : 0.75527676E-01,
|
|
'35, 10' : 0.30851197E+00,
|
|
'35, 11' : 0.30851197E+00,
|
|
'35, 12' : -0.94767201E-01,
|
|
'35, 13' : -0.50468452E+00,
|
|
'35, 14' : -0.15543451E+00,
|
|
'35, 15' : 0.15543451E+00,
|
|
'35, 16' : -0.19030552E-01,
|
|
'35, 17' : 0.34052277E-01,
|
|
'35, 19' : 0.11423158E-01,
|
|
'35, 20' : -0.10253818E-01,
|
|
'35, 21' : -0.19030552E-01,
|
|
'35, 22' : 0.34052277E-01,
|
|
'35, 23' : -0.11423158E-01,
|
|
'35, 25' : -0.10253818E-01,
|
|
'35, 30' : -0.21676976E-01,
|
|
'35, 35' : 0.18175000E+01,
|
|
},
|
|
'NH-.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.11581847E-01,
|
|
'16, 2' : 0.38756899E-01,
|
|
'16, 3' : 0.12166461E+00,
|
|
'16, 6' : -0.19418286E+00,
|
|
'16, 9' : -0.34560629E+00,
|
|
'16, 10' : -0.47793128E-01,
|
|
'16, 11' : -0.47793128E-01,
|
|
'16, 12' : 0.35237985E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.17484496E-01,
|
|
'17, 2' : 0.87797400E-01,
|
|
'17, 3' : 0.12578510E+00,
|
|
'17, 6' : -0.63860285E-01,
|
|
'17, 9' : -0.15763428E+00,
|
|
'17, 10' : 0.69913455E-01,
|
|
'17, 11' : 0.69913455E-01,
|
|
'17, 12' : 0.10018436E+00,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.11663299E+00,
|
|
'18, 7' : 0.20023891E+00,
|
|
'18, 14' : -0.52812081E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 5' : 0.11663299E+00,
|
|
'19, 8' : 0.20023891E+00,
|
|
'19, 15' : -0.52812081E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.17704312E-01,
|
|
'20, 2' : 0.31534129E+00,
|
|
'20, 3' : 0.19521372E+00,
|
|
'20, 6' : -0.72208642E+00,
|
|
'20, 9' : -0.22611593E+00,
|
|
'20, 10' : 0.68974301E-02,
|
|
'20, 11' : 0.68974301E-02,
|
|
'20, 12' : 0.85214945E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
},
|
|
'NH.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.10408166E-01,
|
|
'16, 2' : 0.48959282E-01,
|
|
'16, 3' : 0.12851872E+00,
|
|
'16, 6' : -0.21176551E+00,
|
|
'16, 9' : -0.35205824E+00,
|
|
'16, 10' : -0.45651855E-01,
|
|
'16, 11' : -0.45651855E-01,
|
|
'16, 12' : 0.37724601E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.18173503E-01,
|
|
'17, 2' : 0.90711261E-01,
|
|
'17, 3' : 0.12881860E+00,
|
|
'17, 6' : -0.64212998E-01,
|
|
'17, 9' : -0.15735566E+00,
|
|
'17, 10' : 0.72480883E-01,
|
|
'17, 11' : 0.72480883E-01,
|
|
'17, 12' : 0.10221680E+00,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.13431293E+00,
|
|
'18, 7' : 0.20892311E+00,
|
|
'18, 14' : -0.56895929E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 5' : 0.13431293E+00,
|
|
'19, 8' : 0.20892311E+00,
|
|
'19, 15' : -0.56895929E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : -0.66949667E-02,
|
|
'20, 2' : 0.34420569E+00,
|
|
'20, 3' : 0.19977813E+00,
|
|
'20, 6' : -0.75987453E+00,
|
|
'20, 9' : -0.21587340E+00,
|
|
'20, 10' : 0.18842805E-01,
|
|
'20, 11' : 0.18842805E-01,
|
|
'20, 12' : 0.85056500E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
},
|
|
'NO-.ezfio' : {
|
|
'1, 1' : 0.22318212E+02,
|
|
'2, 1' : -0.20663051E+01,
|
|
'2, 2' : 0.13870082E+01,
|
|
'3, 1' : 0.11817895E+00,
|
|
'3, 2' : 0.40519985E+00,
|
|
'3, 3' : 0.33720000E+00,
|
|
'4, 4' : 0.31984058E+01,
|
|
'5, 5' : 0.31984058E+01,
|
|
'6, 6' : 0.31984058E+01,
|
|
'7, 4' : 0.45757181E+00,
|
|
'7, 7' : 0.54625000E+00,
|
|
'8, 5' : 0.45757181E+00,
|
|
'8, 8' : 0.54625000E+00,
|
|
'9, 6' : 0.45757181E+00,
|
|
'9, 9' : 0.54625000E+00,
|
|
'10, 1' : -0.51374563E+00,
|
|
'10, 2' : 0.43623133E+00,
|
|
'10, 3' : 0.29183351E+00,
|
|
'10, 10' : 0.17701667E+01,
|
|
'11, 1' : -0.51374563E+00,
|
|
'11, 2' : 0.43623133E+00,
|
|
'11, 3' : 0.29183351E+00,
|
|
'11, 10' : -0.13616667E+00,
|
|
'11, 11' : 0.17701667E+01,
|
|
'12, 1' : -0.51374563E+00,
|
|
'12, 2' : 0.43623133E+00,
|
|
'12, 3' : 0.29183351E+00,
|
|
'12, 10' : -0.13616667E+00,
|
|
'12, 11' : -0.13616667E+00,
|
|
'12, 12' : 0.17701667E+01,
|
|
'13, 13' : 0.28595000E+01,
|
|
'14, 14' : 0.28595000E+01,
|
|
'15, 15' : 0.28595000E+01,
|
|
'16, 1' : -0.11130668E-04,
|
|
'16, 2' : -0.23018939E-01,
|
|
'16, 3' : 0.40570242E-02,
|
|
'16, 6' : -0.37540467E-01,
|
|
'16, 9' : 0.49676709E-01,
|
|
'16, 10' : -0.93050909E-02,
|
|
'16, 11' : -0.93050909E-02,
|
|
'16, 12' : -0.61274406E-01,
|
|
'16, 16' : 0.29454913E+02,
|
|
'17, 1' : -0.19834050E-01,
|
|
'17, 2' : -0.70298890E-01,
|
|
'17, 3' : 0.38412266E-01,
|
|
'17, 6' : -0.25211838E-01,
|
|
'17, 9' : 0.23358621E+00,
|
|
'17, 10' : -0.83047817E-01,
|
|
'17, 11' : -0.83047817E-01,
|
|
'17, 12' : 0.13363782E+00,
|
|
'17, 16' : -0.27185138E+01,
|
|
'17, 17' : 0.18726564E+01,
|
|
'18, 1' : -0.43428192E-02,
|
|
'18, 2' : 0.29354740E-01,
|
|
'18, 3' : 0.89207116E-01,
|
|
'18, 6' : 0.12333926E+00,
|
|
'18, 9' : 0.27354005E+00,
|
|
'18, 10' : -0.13637377E-01,
|
|
'18, 11' : -0.13637377E-01,
|
|
'18, 12' : 0.16724305E+00,
|
|
'18, 16' : 0.16064839E+00,
|
|
'18, 17' : 0.54425521E+00,
|
|
'18, 18' : 0.45345000E+00,
|
|
'19, 4' : -0.16151088E-01,
|
|
'19, 7' : 0.74405418E-01,
|
|
'19, 14' : 0.84641582E-01,
|
|
'19, 19' : 0.43248263E+01,
|
|
'20, 5' : -0.16151088E-01,
|
|
'20, 8' : 0.74405418E-01,
|
|
'20, 15' : 0.84641582E-01,
|
|
'20, 20' : 0.43248263E+01,
|
|
'21, 1' : 0.38789037E-01,
|
|
'21, 2' : 0.69876188E-02,
|
|
'21, 3' : -0.85570712E-01,
|
|
'21, 6' : -0.13433377E+00,
|
|
'21, 9' : -0.19689412E+00,
|
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},
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},
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|
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|
'15, 15' : 0.41475000E+01,
|
|
'16, 1' : -0.43928632E-02,
|
|
'16, 2' : 0.54815393E-01,
|
|
'16, 3' : 0.15827064E+00,
|
|
'16, 5' : 0.16575726E+00,
|
|
'16, 6' : -0.13032025E+00,
|
|
'16, 8' : 0.33283049E+00,
|
|
'16, 9' : -0.26167514E+00,
|
|
'16, 10' : -0.27627871E-01,
|
|
'16, 11' : 0.18730510E+00,
|
|
'16, 12' : 0.10522831E+00,
|
|
'16, 15' : -0.29268672E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.16961335E-01,
|
|
'17, 2' : 0.86725349E-01,
|
|
'17, 3' : 0.13524837E+00,
|
|
'17, 5' : 0.39292194E-01,
|
|
'17, 6' : -0.30891972E-01,
|
|
'17, 8' : 0.11601217E+00,
|
|
'17, 9' : -0.91210092E-01,
|
|
'17, 10' : 0.72826066E-01,
|
|
'17, 11' : 0.83298190E-01,
|
|
'17, 12' : 0.79299183E-01,
|
|
'17, 15' : -0.14260500E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.16503372E+00,
|
|
'18, 7' : 0.28197143E+00,
|
|
'18, 13' : 0.43845870E+00,
|
|
'18, 14' : -0.34472124E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : -0.27555292E-01,
|
|
'19, 2' : -0.33096000E+00,
|
|
'19, 3' : -0.23347744E+00,
|
|
'19, 5' : -0.45707182E+00,
|
|
'19, 6' : 0.48910648E+00,
|
|
'19, 8' : -0.78587026E-01,
|
|
'19, 9' : 0.28347518E+00,
|
|
'19, 10' : -0.78101923E-01,
|
|
'19, 11' : -0.28155934E+00,
|
|
'19, 12' : -0.51681603E+00,
|
|
'19, 15' : 0.62178103E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : 0.21664285E-01,
|
|
'20, 2' : 0.26020453E+00,
|
|
'20, 3' : 0.18356263E+00,
|
|
'20, 5' : 0.48910648E+00,
|
|
'20, 6' : -0.21950739E+00,
|
|
'20, 8' : 0.28347518E+00,
|
|
'20, 9' : 0.59100006E-01,
|
|
'20, 10' : 0.61404624E-01,
|
|
'20, 11' : 0.61941497E+00,
|
|
'20, 12' : 0.82768682E-02,
|
|
'20, 15' : -0.32141643E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.43928632E-02,
|
|
'21, 2' : 0.54815393E-01,
|
|
'21, 3' : 0.15827064E+00,
|
|
'21, 5' : -0.16575726E+00,
|
|
'21, 6' : -0.13032025E+00,
|
|
'21, 8' : -0.33283049E+00,
|
|
'21, 9' : -0.26167514E+00,
|
|
'21, 10' : -0.27627871E-01,
|
|
'21, 11' : 0.18730510E+00,
|
|
'21, 12' : 0.10522831E+00,
|
|
'21, 15' : 0.29268672E+00,
|
|
'21, 16' : -0.30869894E-01,
|
|
'21, 17' : 0.40953562E-01,
|
|
'21, 19' : 0.68347942E-03,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.16961335E-01,
|
|
'22, 2' : 0.86725349E-01,
|
|
'22, 3' : 0.13524837E+00,
|
|
'22, 5' : -0.39292194E-01,
|
|
'22, 6' : -0.30891972E-01,
|
|
'22, 8' : -0.11601217E+00,
|
|
'22, 9' : -0.91210092E-01,
|
|
'22, 10' : 0.72826066E-01,
|
|
'22, 11' : 0.83298190E-01,
|
|
'22, 12' : 0.79299183E-01,
|
|
'22, 15' : 0.14260500E-01,
|
|
'22, 16' : 0.40953562E-01,
|
|
'22, 17' : 0.73219241E-01,
|
|
'22, 19' : -0.59578237E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 4' : 0.16503372E+00,
|
|
'23, 7' : 0.28197143E+00,
|
|
'23, 13' : -0.43845870E+00,
|
|
'23, 14' : -0.34472124E+00,
|
|
'23, 18' : -0.18292333E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.27555292E-01,
|
|
'24, 2' : 0.33096000E+00,
|
|
'24, 3' : 0.23347744E+00,
|
|
'24, 5' : -0.45707182E+00,
|
|
'24, 6' : -0.48910648E+00,
|
|
'24, 8' : -0.78587026E-01,
|
|
'24, 9' : -0.28347518E+00,
|
|
'24, 10' : 0.78101923E-01,
|
|
'24, 11' : 0.28155934E+00,
|
|
'24, 12' : 0.51681603E+00,
|
|
'24, 15' : 0.62178103E+00,
|
|
'24, 16' : -0.68347942E-03,
|
|
'24, 17' : 0.59578237E-01,
|
|
'24, 19' : -0.12372998E+00,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : 0.21664285E-01,
|
|
'25, 2' : 0.26020453E+00,
|
|
'25, 3' : 0.18356263E+00,
|
|
'25, 5' : -0.48910648E+00,
|
|
'25, 6' : -0.21950739E+00,
|
|
'25, 8' : -0.28347518E+00,
|
|
'25, 9' : 0.59100006E-01,
|
|
'25, 10' : 0.61404624E-01,
|
|
'25, 11' : 0.61941497E+00,
|
|
'25, 12' : 0.82768682E-02,
|
|
'25, 15' : 0.32141643E+00,
|
|
'25, 20' : -0.18292333E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
},
|
|
'OH2+.ezfio' : {
|
|
'1, 1' : 0.29454913E+02,
|
|
'2, 1' : -0.27185138E+01,
|
|
'2, 2' : 0.18726564E+01,
|
|
'3, 1' : 0.16064839E+00,
|
|
'3, 2' : 0.54425521E+00,
|
|
'3, 3' : 0.45345000E+00,
|
|
'4, 4' : 0.43248263E+01,
|
|
'5, 5' : 0.43248263E+01,
|
|
'6, 6' : 0.43248263E+01,
|
|
'7, 4' : 0.55816890E+00,
|
|
'7, 7' : 0.68825000E+00,
|
|
'8, 5' : 0.55816890E+00,
|
|
'8, 8' : 0.68825000E+00,
|
|
'9, 6' : 0.55816890E+00,
|
|
'9, 9' : 0.68825000E+00,
|
|
'10, 1' : -0.75696746E+00,
|
|
'10, 2' : 0.66845159E+00,
|
|
'10, 3' : 0.39835852E+00,
|
|
'10, 10' : 0.25675000E+01,
|
|
'11, 1' : -0.75696746E+00,
|
|
'11, 2' : 0.66845159E+00,
|
|
'11, 3' : 0.39835852E+00,
|
|
'11, 10' : -0.19750000E+00,
|
|
'11, 11' : 0.25675000E+01,
|
|
'12, 1' : -0.75696746E+00,
|
|
'12, 2' : 0.66845159E+00,
|
|
'12, 3' : 0.39835852E+00,
|
|
'12, 10' : -0.19750000E+00,
|
|
'12, 11' : -0.19750000E+00,
|
|
'12, 12' : 0.25675000E+01,
|
|
'13, 13' : 0.41475000E+01,
|
|
'14, 14' : 0.41475000E+01,
|
|
'15, 15' : 0.41475000E+01,
|
|
'16, 1' : -0.70324126E-02,
|
|
'16, 2' : 0.32216785E-01,
|
|
'16, 3' : 0.13861715E+00,
|
|
'16, 5' : 0.14292908E+00,
|
|
'16, 6' : -0.10076517E+00,
|
|
'16, 8' : 0.33112412E+00,
|
|
'16, 9' : -0.23344290E+00,
|
|
'16, 10' : -0.34995436E-01,
|
|
'16, 11' : 0.16536247E+00,
|
|
'16, 12' : 0.64587793E-01,
|
|
'16, 15' : -0.24465662E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.15777300E-01,
|
|
'17, 2' : 0.81346312E-01,
|
|
'17, 3' : 0.12866558E+00,
|
|
'17, 5' : 0.40600222E-01,
|
|
'17, 6' : -0.28623206E-01,
|
|
'17, 8' : 0.12136052E+00,
|
|
'17, 9' : -0.85559316E-01,
|
|
'17, 10' : 0.67982032E-01,
|
|
'17, 11' : 0.79804496E-01,
|
|
'17, 12' : 0.73858112E-01,
|
|
'17, 15' : -0.14436386E-01,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 4' : 0.12287163E+00,
|
|
'18, 7' : 0.25588239E+00,
|
|
'18, 13' : 0.38473140E+00,
|
|
'18, 14' : -0.27123610E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : -0.49353165E-02,
|
|
'19, 2' : -0.28173726E+00,
|
|
'19, 3' : -0.22854328E+00,
|
|
'19, 5' : -0.46727620E+00,
|
|
'19, 6' : 0.41605493E+00,
|
|
'19, 8' : -0.13559101E+00,
|
|
'19, 9' : 0.27598922E+00,
|
|
'19, 10' : -0.46181440E-01,
|
|
'19, 11' : -0.35661269E+00,
|
|
'19, 12' : -0.42127795E+00,
|
|
'19, 15' : 0.65030305E+00,
|
|
'19, 19' : 0.18175000E+01,
|
|
'20, 1' : 0.34794041E-02,
|
|
'20, 2' : 0.19862511E+00,
|
|
'20, 3' : 0.16112329E+00,
|
|
'20, 5' : 0.41605493E+00,
|
|
'20, 6' : -0.17044760E+00,
|
|
'20, 8' : 0.27598922E+00,
|
|
'20, 9' : 0.61309657E-01,
|
|
'20, 10' : 0.32557971E-01,
|
|
'20, 11' : 0.56460885E+00,
|
|
'20, 12' : -0.16195011E-01,
|
|
'20, 15' : -0.26495481E+00,
|
|
'20, 20' : 0.18175000E+01,
|
|
'21, 1' : -0.70324126E-02,
|
|
'21, 2' : 0.32216785E-01,
|
|
'21, 3' : 0.13861715E+00,
|
|
'21, 5' : -0.14292908E+00,
|
|
'21, 6' : -0.10076517E+00,
|
|
'21, 8' : -0.33112412E+00,
|
|
'21, 9' : -0.23344290E+00,
|
|
'21, 10' : -0.34995436E-01,
|
|
'21, 11' : 0.16536247E+00,
|
|
'21, 12' : 0.64587793E-01,
|
|
'21, 15' : 0.24465662E+00,
|
|
'21, 16' : -0.34212139E-01,
|
|
'21, 17' : 0.27795825E-01,
|
|
'21, 19' : 0.24203204E-01,
|
|
'21, 21' : 0.96945723E+00,
|
|
'22, 1' : 0.15777300E-01,
|
|
'22, 2' : 0.81346312E-01,
|
|
'22, 3' : 0.12866558E+00,
|
|
'22, 5' : -0.40600222E-01,
|
|
'22, 6' : -0.28623206E-01,
|
|
'22, 8' : -0.12136052E+00,
|
|
'22, 9' : -0.85559316E-01,
|
|
'22, 10' : 0.67982032E-01,
|
|
'22, 11' : 0.79804496E-01,
|
|
'22, 12' : 0.73858112E-01,
|
|
'22, 15' : 0.14436386E-01,
|
|
'22, 16' : 0.27795825E-01,
|
|
'22, 17' : 0.60630791E-01,
|
|
'22, 19' : -0.50018566E-01,
|
|
'22, 21' : 0.20123413E+00,
|
|
'22, 22' : 0.18300000E+00,
|
|
'23, 4' : 0.12287163E+00,
|
|
'23, 7' : 0.25588239E+00,
|
|
'23, 13' : -0.38473140E+00,
|
|
'23, 14' : -0.27123610E+00,
|
|
'23, 18' : -0.21917900E-01,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : 0.49353165E-02,
|
|
'24, 2' : 0.28173726E+00,
|
|
'24, 3' : 0.22854328E+00,
|
|
'24, 5' : -0.46727620E+00,
|
|
'24, 6' : -0.41605493E+00,
|
|
'24, 8' : -0.13559101E+00,
|
|
'24, 9' : -0.27598922E+00,
|
|
'24, 10' : 0.46181440E-01,
|
|
'24, 11' : 0.35661269E+00,
|
|
'24, 12' : 0.42127795E+00,
|
|
'24, 15' : 0.65030305E+00,
|
|
'24, 16' : -0.24203204E-01,
|
|
'24, 17' : 0.50018566E-01,
|
|
'24, 19' : -0.13359579E-01,
|
|
'24, 24' : 0.18175000E+01,
|
|
'25, 1' : 0.34794041E-02,
|
|
'25, 2' : 0.19862511E+00,
|
|
'25, 3' : 0.16112329E+00,
|
|
'25, 5' : -0.41605493E+00,
|
|
'25, 6' : -0.17044760E+00,
|
|
'25, 8' : -0.27598922E+00,
|
|
'25, 9' : 0.61309657E-01,
|
|
'25, 10' : 0.32557971E-01,
|
|
'25, 11' : 0.56460885E+00,
|
|
'25, 12' : -0.16195011E-01,
|
|
'25, 15' : 0.26495481E+00,
|
|
'25, 20' : -0.21917900E-01,
|
|
'25, 25' : 0.18175000E+01,
|
|
},
|
|
'OH3+.ezfio' : {
|
|
'1, 1' : 0.29454913E+02,
|
|
'2, 1' : -0.27185138E+01,
|
|
'2, 2' : 0.18726564E+01,
|
|
'3, 1' : 0.16064839E+00,
|
|
'3, 2' : 0.54425521E+00,
|
|
'3, 3' : 0.45345000E+00,
|
|
'4, 4' : 0.43248263E+01,
|
|
'5, 5' : 0.43248263E+01,
|
|
'6, 6' : 0.43248263E+01,
|
|
'7, 4' : 0.55816890E+00,
|
|
'7, 7' : 0.68825000E+00,
|
|
'8, 5' : 0.55816890E+00,
|
|
'8, 8' : 0.68825000E+00,
|
|
'9, 6' : 0.55816890E+00,
|
|
'9, 9' : 0.68825000E+00,
|
|
'10, 1' : -0.75696746E+00,
|
|
'10, 2' : 0.66845159E+00,
|
|
'10, 3' : 0.39835852E+00,
|
|
'10, 10' : 0.25675000E+01,
|
|
'11, 1' : -0.75696746E+00,
|
|
'11, 2' : 0.66845159E+00,
|
|
'11, 3' : 0.39835852E+00,
|
|
'11, 10' : -0.19750000E+00,
|
|
'11, 11' : 0.25675000E+01,
|
|
'12, 1' : -0.75696746E+00,
|
|
'12, 2' : 0.66845159E+00,
|
|
'12, 3' : 0.39835852E+00,
|
|
'12, 10' : -0.19750000E+00,
|
|
'12, 11' : -0.19750000E+00,
|
|
'12, 12' : 0.25675000E+01,
|
|
'13, 13' : 0.41475000E+01,
|
|
'14, 14' : 0.41475000E+01,
|
|
'15, 15' : 0.41475000E+01,
|
|
'16, 1' : -0.56159010E-02,
|
|
'16, 2' : 0.44264773E-01,
|
|
'16, 3' : 0.14941358E+00,
|
|
'16, 4' : 0.18601123E+00,
|
|
'16, 5' : -0.56385516E-01,
|
|
'16, 7' : 0.39765093E+00,
|
|
'16, 8' : -0.12053978E+00,
|
|
'16, 10' : 0.26748313E+00,
|
|
'16, 11' : -0.36626671E-02,
|
|
'16, 12' : -0.31098619E-01,
|
|
'16, 13' : -0.15676614E+00,
|
|
'16, 16' : 0.96945723E+00,
|
|
'17, 1' : 0.16433559E-01,
|
|
'17, 2' : 0.84331570E-01,
|
|
'17, 3' : 0.13232719E+00,
|
|
'17, 4' : 0.47728698E-01,
|
|
'17, 5' : -0.14467982E-01,
|
|
'17, 7' : 0.14168349E+00,
|
|
'17, 8' : -0.42948465E-01,
|
|
'17, 10' : 0.86503273E-01,
|
|
'17, 11' : 0.72124123E-01,
|
|
'17, 12' : 0.70669165E-01,
|
|
'17, 13' : -0.83134750E-02,
|
|
'17, 16' : 0.20123413E+00,
|
|
'17, 17' : 0.18300000E+00,
|
|
'18, 1' : -0.20301312E-01,
|
|
'18, 2' : -0.36993565E+00,
|
|
'18, 3' : -0.27699275E+00,
|
|
'18, 4' : -0.72656184E+00,
|
|
'18, 5' : 0.26431304E+00,
|
|
'18, 7' : -0.26569196E+00,
|
|
'18, 8' : 0.16245951E+00,
|
|
'18, 10' : -0.75538139E+00,
|
|
'18, 11' : -0.19126660E+00,
|
|
'18, 12' : -0.76229845E-01,
|
|
'18, 13' : 0.50694342E+00,
|
|
'18, 18' : 0.18175000E+01,
|
|
'19, 1' : 0.61539292E-02,
|
|
'19, 2' : 0.11213846E+00,
|
|
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},
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},
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|
|
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|
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|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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},
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|
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'25, 6' : -0.42631889E-05,
|
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'25, 9' : -0.21677879E-02,
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'25, 12' : 0.20120750E-02,
|
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'25, 19' : -0.58370359E-02,
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'25, 25' : 0.20660416E+02,
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'26, 2' : 0.19570211E-04,
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'26, 3' : 0.67213628E-02,
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'26, 4' : -0.25644239E-02,
|
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'26, 7' : 0.85259998E-04,
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'26, 10' : 0.11813765E-01,
|
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'26, 13' : -0.13707203E-01,
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'26, 14' : 0.31392484E-02,
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'26, 15' : 0.31392484E-02,
|
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'26, 16' : 0.70040103E-02,
|
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'26, 26' : 0.20660416E+02,
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'27, 5' : -0.17566179E-02,
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'27, 8' : -0.12538857E-01,
|
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'27, 11' : 0.22252733E-01,
|
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'27, 18' : 0.43678788E-02,
|
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'27, 24' : 0.59287908E+00,
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'27, 27' : 0.15337068E+01,
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'28, 6' : -0.17566179E-02,
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'28, 9' : -0.12538857E-01,
|
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'28, 12' : 0.22252733E-01,
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'28, 19' : 0.43678788E-02,
|
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'28, 25' : 0.59287908E+00,
|
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|
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'29, 1' : 0.12164731E-02,
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'29, 2' : 0.13748018E-01,
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'29, 3' : 0.21010780E-01,
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'29, 4' : -0.29408981E-01,
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'29, 7' : 0.14823569E-01,
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'29, 10' : -0.10365314E-01,
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'29, 13' : -0.10798817E+00,
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'29, 14' : 0.35859299E-01,
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'29, 15' : 0.35859299E-01,
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'29, 16' : -0.12746169E+00,
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'29, 26' : 0.59287908E+00,
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'29, 29' : 0.15337068E+01,
|
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'30, 5' : 0.86640091E-03,
|
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'30, 8' : 0.23595629E-01,
|
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'30, 11' : 0.69069522E-01,
|
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'30, 18' : 0.85385563E-01,
|
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'30, 24' : 0.68445023E-01,
|
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'30, 27' : 0.38966520E+00,
|
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'30, 30' : 0.40500000E+00,
|
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'31, 6' : 0.86640091E-03,
|
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'31, 9' : 0.23595629E-01,
|
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'31, 12' : 0.69069522E-01,
|
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'31, 19' : 0.85385563E-01,
|
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'31, 25' : 0.68445023E-01,
|
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'31, 28' : 0.38966520E+00,
|
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'31, 31' : 0.40500000E+00,
|
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'32, 1' : -0.29565022E-03,
|
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'32, 2' : -0.66098837E-02,
|
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'32, 3' : -0.77246376E-01,
|
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'32, 4' : -0.93362946E-01,
|
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'32, 7' : -0.20659923E-01,
|
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'32, 10' : -0.16723459E+00,
|
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'32, 13' : -0.17168327E+00,
|
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'32, 14' : -0.22641598E-01,
|
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'32, 15' : -0.22641598E-01,
|
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'32, 16' : -0.18647738E+00,
|
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'32, 26' : 0.68445023E-01,
|
|
'32, 29' : 0.38966520E+00,
|
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'32, 32' : 0.40500000E+00,
|
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'33, 1' : -0.30690822E-04,
|
|
'33, 2' : -0.12709797E-02,
|
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'33, 3' : -0.31151532E-01,
|
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'33, 4' : -0.68371730E-02,
|
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'33, 7' : -0.21241323E-02,
|
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'33, 10' : -0.43976886E-01,
|
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'33, 13' : 0.49158255E-01,
|
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'33, 14' : -0.17868071E-01,
|
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'33, 15' : -0.18049436E-01,
|
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'33, 16' : -0.46870514E-01,
|
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'33, 20' : -0.13593372E+00,
|
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'33, 21' : -0.43000898E+00,
|
|
'33, 22' : 0.48103667E+00,
|
|
'33, 23' : 0.23967185E+00,
|
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|
|
'34, 1' : -0.30690822E-04,
|
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'34, 2' : -0.12709797E-02,
|
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'34, 3' : -0.31151532E-01,
|
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'34, 4' : -0.68371730E-02,
|
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'34, 7' : -0.21241323E-02,
|
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'34, 10' : -0.43976886E-01,
|
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'34, 13' : 0.49158255E-01,
|
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'34, 14' : -0.18049436E-01,
|
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'34, 15' : -0.17868071E-01,
|
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'34, 16' : -0.46870514E-01,
|
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'34, 20' : -0.13593372E+00,
|
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'34, 21' : -0.43000898E+00,
|
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|
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|
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|
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|
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'35, 2' : -0.25658259E-01,
|
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'35, 3' : -0.63881819E-02,
|
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'35, 4' : 0.26918882E-01,
|
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'35, 7' : -0.26571261E-01,
|
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'35, 10' : 0.61908899E-01,
|
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'35, 13' : 0.10940641E+00,
|
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'35, 14' : -0.47493199E-01,
|
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'35, 15' : -0.47493199E-01,
|
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'35, 16' : 0.22156945E+00,
|
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'35, 20' : -0.13593372E+00,
|
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'35, 21' : -0.43000898E+00,
|
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|
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|
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|
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|
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|
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|
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|
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'37, 8' : 0.35057952E-02,
|
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'37, 11' : -0.41882812E-01,
|
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'37, 18' : -0.91128777E-01,
|
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|
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'38, 6' : 0.52917747E-02,
|
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'38, 9' : 0.35057952E-02,
|
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'38, 12' : -0.41882812E-01,
|
|
'38, 19' : -0.91128777E-01,
|
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|
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},
|
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|
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'1, 1' : 0.10594435E+03,
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'15, 14' : -0.62166667E-01,
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|
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'16, 14' : -0.62166667E-01,
|
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'16, 15' : -0.62166667E-01,
|
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'17, 17' : 0.13055000E+01,
|
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'18, 18' : 0.13055000E+01,
|
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'19, 19' : 0.13055000E+01,
|
|
},
|
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'P.ezfio' : {
|
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'1, 1' : 0.10594435E+03,
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|
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|
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|
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'9, 6' : 0.38168311E+00,
|
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|
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|
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|
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|
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'11, 8' : 0.29326701E+00,
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|
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|
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'13, 7' : 0.50059303E-01,
|
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|
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|
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|
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'14, 3' : 0.27566610E+00,
|
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'14, 4' : 0.15103935E+00,
|
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'14, 14' : 0.80816667E+00,
|
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|
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|
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'15, 3' : 0.27566610E+00,
|
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'15, 4' : 0.15103935E+00,
|
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'15, 14' : -0.62166667E-01,
|
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'15, 15' : 0.80816667E+00,
|
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'16, 1' : -0.73044663E-01,
|
|
'16, 2' : -0.26976329E+00,
|
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'16, 3' : 0.27566610E+00,
|
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'16, 4' : 0.15103935E+00,
|
|
'16, 14' : -0.62166667E-01,
|
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'16, 15' : -0.62166667E-01,
|
|
'16, 16' : 0.80816667E+00,
|
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'17, 17' : 0.13055000E+01,
|
|
'18, 18' : 0.13055000E+01,
|
|
'19, 19' : 0.13055000E+01,
|
|
},
|
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'PH2-.ezfio' : {
|
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'1, 1' : 0.10594435E+03,
|
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'2, 1' : -0.57483466E+01,
|
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|
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|
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'9, 6' : 0.38168311E+00,
|
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|
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'10, 7' : 0.38168311E+00,
|
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'10, 10' : 0.10369370E+01,
|
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'11, 5' : 0.50059303E-01,
|
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'11, 8' : 0.29326701E+00,
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|
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'12, 6' : 0.50059303E-01,
|
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'12, 9' : 0.29326701E+00,
|
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'12, 12' : 0.29650000E+00,
|
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'13, 7' : 0.50059303E-01,
|
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'13, 10' : 0.29326701E+00,
|
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'13, 13' : 0.29650000E+00,
|
|
'14, 1' : -0.73044663E-01,
|
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'14, 2' : -0.26976329E+00,
|
|
'14, 3' : 0.27566610E+00,
|
|
'14, 4' : 0.15103935E+00,
|
|
'14, 14' : 0.80816667E+00,
|
|
'15, 1' : -0.73044663E-01,
|
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'15, 2' : -0.26976329E+00,
|
|
'15, 3' : 0.27566610E+00,
|
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'15, 4' : 0.15103935E+00,
|
|
'15, 14' : -0.62166667E-01,
|
|
'15, 15' : 0.80816667E+00,
|
|
'16, 1' : -0.73044663E-01,
|
|
'16, 2' : -0.26976329E+00,
|
|
'16, 3' : 0.27566610E+00,
|
|
'16, 4' : 0.15103935E+00,
|
|
'16, 14' : -0.62166667E-01,
|
|
'16, 15' : -0.62166667E-01,
|
|
'16, 16' : 0.80816667E+00,
|
|
'17, 17' : 0.13055000E+01,
|
|
'18, 18' : 0.13055000E+01,
|
|
'19, 19' : 0.13055000E+01,
|
|
'20, 1' : -0.48867646E-02,
|
|
'20, 2' : -0.30472941E-01,
|
|
'20, 3' : 0.13042053E-01,
|
|
'20, 4' : 0.49117073E-01,
|
|
'20, 6' : -0.65297595E-02,
|
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'20, 7' : 0.63903991E-02,
|
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'20, 9' : 0.82700972E-01,
|
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'20, 10' : -0.80935939E-01,
|
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'20, 12' : 0.12211492E+00,
|
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'20, 13' : -0.11950870E+00,
|
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'20, 14' : -0.56099752E-01,
|
|
'20, 15' : 0.10674161E+00,
|
|
'20, 16' : 0.99864955E-01,
|
|
'20, 19' : -0.27602992E+00,
|
|
'20, 20' : 0.96945723E+00,
|
|
'21, 1' : 0.22898090E-02,
|
|
'21, 2' : 0.17326920E-01,
|
|
'21, 3' : 0.66340756E-01,
|
|
'21, 4' : 0.80562726E-01,
|
|
'21, 6' : 0.99816453E-02,
|
|
'21, 7' : -0.97686136E-02,
|
|
'21, 9' : 0.74509450E-01,
|
|
'21, 10' : -0.72919244E-01,
|
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'21, 12' : 0.10729689E+00,
|
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'21, 13' : -0.10500692E+00,
|
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'21, 14' : 0.31087238E-01,
|
|
'21, 15' : 0.72681393E-01,
|
|
'21, 16' : 0.70924905E-01,
|
|
'21, 19' : -0.70505619E-01,
|
|
'21, 20' : 0.20123413E+00,
|
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'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.13241769E-01,
|
|
'22, 8' : 0.36056552E-01,
|
|
'22, 11' : 0.66245093E-01,
|
|
'22, 17' : 0.17681216E+00,
|
|
'22, 18' : -0.17303857E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 1' : 0.93428724E-02,
|
|
'23, 2' : 0.54421596E-01,
|
|
'23, 3' : -0.98365177E-01,
|
|
'23, 4' : -0.46724520E-01,
|
|
'23, 6' : 0.81165932E-02,
|
|
'23, 7' : -0.20902525E-01,
|
|
'23, 9' : -0.16281088E+00,
|
|
'23, 10' : 0.19462314E+00,
|
|
'23, 12' : -0.15288685E-01,
|
|
'23, 13' : 0.79793656E-01,
|
|
'23, 14' : 0.41124218E-01,
|
|
'23, 15' : -0.64094021E-01,
|
|
'23, 16' : -0.25519411E+00,
|
|
'23, 19' : 0.35139241E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.91434736E-02,
|
|
'24, 2' : -0.53260111E-01,
|
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|
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|
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'24, 6' : -0.20902525E-01,
|
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|
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'24, 9' : 0.19462314E+00,
|
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'24, 10' : -0.15441287E+00,
|
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'24, 12' : 0.79793656E-01,
|
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'24, 13' : -0.11845579E-01,
|
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'24, 14' : -0.40246531E-01,
|
|
'24, 15' : 0.26253384E+00,
|
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'24, 16' : 0.49939933E-01,
|
|
'24, 19' : -0.33642624E+00,
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|
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},
|
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},
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},
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|
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|
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|
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|
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'38, 19' : -0.22676809E+00,
|
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|
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},
|
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|
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'1, 1' : 0.12081533E+03,
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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'18, 18' : 0.16765000E+01,
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'19, 19' : 0.16765000E+01,
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'20, 3' : -0.13894651E-02,
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'20, 4' : -0.97255328E-03,
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'20, 13' : -0.30675356E-02,
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'20, 14' : -0.22700551E-03,
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'20, 15' : -0.22700551E-03,
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'20, 16' : -0.72158018E-02,
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'21, 3' : -0.12305080E-01,
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'21, 4' : -0.57318226E-02,
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'21, 7' : 0.51129191E-04,
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'21, 13' : -0.23677016E-01,
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'21, 14' : -0.36587668E-02,
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'21, 15' : -0.36587668E-02,
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'21, 16' : -0.46267449E-01,
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'21, 20' : -0.65835399E+01,
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'22, 15' : -0.37524825E-01,
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'22, 20' : -0.55110282E+00,
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'22, 21' : -0.12922361E+01,
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'23, 7' : -0.32935033E-02,
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'24, 5' : -0.11877576E-04,
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'24, 18' : 0.89072839E-02,
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'25, 6' : -0.11877576E-04,
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'25, 19' : 0.89072839E-02,
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'26, 2' : -0.51129191E-04,
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'26, 13' : -0.21894074E-01,
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'26, 14' : -0.44542591E-02,
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'26, 15' : -0.44542591E-02,
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'26, 16' : -0.19136854E-01,
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'26, 26' : 0.17704568E+02,
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'27, 5' : -0.31016327E-02,
|
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'27, 8' : -0.13059946E-01,
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'27, 11' : 0.33700573E-01,
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'27, 18' : -0.13920512E-01,
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'27, 24' : 0.50685037E+00,
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'28, 6' : -0.31016327E-02,
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'28, 9' : -0.13059946E-01,
|
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'28, 12' : 0.33700573E-01,
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'28, 19' : -0.13920512E-01,
|
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'28, 25' : 0.50685037E+00,
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|
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'29, 1' : -0.31890215E-02,
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'29, 2' : -0.24979046E-01,
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'29, 3' : -0.19613979E-01,
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'29, 4' : 0.44051451E-01,
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'29, 7' : 0.17643527E-01,
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'29, 10' : -0.42934987E-01,
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'29, 13' : -0.15653862E+00,
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'29, 14' : -0.46764327E-01,
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'29, 15' : -0.46764327E-01,
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'29, 26' : 0.50685037E+00,
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'29, 29' : 0.12931826E+01,
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'30, 5' : 0.29911416E-02,
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'30, 8' : 0.33700573E-01,
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'30, 11' : 0.86719113E-01,
|
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'30, 18' : -0.77790702E-01,
|
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'30, 24' : 0.59421902E-01,
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'30, 27' : 0.34131320E+00,
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'30, 30' : 0.35175000E+00,
|
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'31, 6' : 0.29911416E-02,
|
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'31, 9' : 0.33700573E-01,
|
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'31, 12' : 0.86719113E-01,
|
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'31, 19' : -0.77790702E-01,
|
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'31, 25' : 0.59421902E-01,
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'31, 28' : 0.34131320E+00,
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'31, 31' : 0.35175000E+00,
|
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'32, 1' : 0.30675356E-02,
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'32, 2' : 0.23677016E-01,
|
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'32, 3' : 0.10046382E+00,
|
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'32, 4' : 0.12087259E+00,
|
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'32, 7' : -0.21894074E-01,
|
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'32, 10' : -0.15653862E+00,
|
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'32, 13' : -0.17839012E+00,
|
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'32, 14' : 0.56760580E-01,
|
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'32, 15' : 0.56760580E-01,
|
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'32, 16' : 0.15947486E+00,
|
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'32, 26' : 0.59421902E-01,
|
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'32, 29' : 0.34131320E+00,
|
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'32, 32' : 0.35175000E+00,
|
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'33, 1' : -0.22700551E-03,
|
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'33, 2' : -0.36587668E-02,
|
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'33, 3' : -0.37524825E-01,
|
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'33, 4' : -0.13594261E-01,
|
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'33, 7' : 0.44542591E-02,
|
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'33, 10' : 0.46764327E-01,
|
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'33, 13' : -0.56760580E-01,
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'33, 14' : -0.20185920E-01,
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'33, 15' : -0.24495941E-01,
|
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'33, 16' : -0.53134054E-01,
|
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'33, 20' : -0.10151573E+00,
|
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'33, 21' : -0.34551235E+00,
|
|
'33, 22' : 0.36457368E+00,
|
|
'33, 23' : 0.19306598E+00,
|
|
'33, 33' : 0.10378333E+01,
|
|
'34, 1' : -0.22700551E-03,
|
|
'34, 2' : -0.36587668E-02,
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'34, 3' : -0.37524825E-01,
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'34, 4' : -0.13594261E-01,
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'34, 7' : 0.44542591E-02,
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|
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'34, 20' : -0.10151573E+00,
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'34, 21' : -0.34551235E+00,
|
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'34, 22' : 0.36457368E+00,
|
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'34, 23' : 0.19306598E+00,
|
|
'34, 33' : -0.79833333E-01,
|
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'34, 34' : 0.10378333E+01,
|
|
'35, 1' : -0.72158018E-02,
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'35, 2' : -0.46267449E-01,
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'35, 3' : 0.28056948E-01,
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'35, 4' : 0.54568978E-01,
|
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'35, 7' : 0.19136854E-01,
|
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'35, 10' : -0.16400400E+00,
|
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'35, 13' : -0.15947486E+00,
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'35, 14' : -0.53134054E-01,
|
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'35, 15' : -0.53134054E-01,
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'35, 16' : 0.32328175E+00,
|
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'35, 20' : -0.10151573E+00,
|
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'35, 21' : -0.34551235E+00,
|
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'35, 22' : 0.36457368E+00,
|
|
'35, 23' : 0.19306598E+00,
|
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'35, 33' : -0.79833333E-01,
|
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'35, 34' : -0.79833333E-01,
|
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'35, 35' : 0.10378333E+01,
|
|
'36, 17' : 0.64650317E-02,
|
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'36, 36' : 0.16765000E+01,
|
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'37, 5' : -0.89072839E-02,
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'37, 8' : 0.13920512E-01,
|
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'37, 11' : 0.77790702E-01,
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'37, 18' : -0.16159550E+00,
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|
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'38, 6' : -0.89072839E-02,
|
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'38, 9' : 0.13920512E-01,
|
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'38, 12' : 0.77790702E-01,
|
|
'38, 19' : -0.16159550E+00,
|
|
'38, 38' : 0.16765000E+01,
|
|
},
|
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|
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'1, 1' : 0.12081533E+03,
|
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'2, 1' : -0.65835399E+01,
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'2, 2' : 0.55022426E+01,
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|
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|
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|
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|
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|
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'10, 7' : 0.50685037E+00,
|
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'10, 10' : 0.12931826E+01,
|
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'11, 5' : 0.59421902E-01,
|
|
'11, 8' : 0.34131320E+00,
|
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'11, 11' : 0.35175000E+00,
|
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'12, 6' : 0.59421902E-01,
|
|
'12, 9' : 0.34131320E+00,
|
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'12, 12' : 0.35175000E+00,
|
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'13, 7' : 0.59421902E-01,
|
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'13, 10' : 0.34131320E+00,
|
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'13, 13' : 0.35175000E+00,
|
|
'14, 1' : -0.10151573E+00,
|
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'14, 2' : -0.34551235E+00,
|
|
'14, 3' : 0.36457368E+00,
|
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'14, 4' : 0.19306598E+00,
|
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'14, 14' : 0.10378333E+01,
|
|
'15, 1' : -0.10151573E+00,
|
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'15, 2' : -0.34551235E+00,
|
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'15, 3' : 0.36457368E+00,
|
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|
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'15, 14' : -0.79833333E-01,
|
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|
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'16, 2' : -0.34551235E+00,
|
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|
|
'16, 4' : 0.19306598E+00,
|
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'16, 14' : -0.79833333E-01,
|
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'16, 15' : -0.79833333E-01,
|
|
'16, 16' : 0.10378333E+01,
|
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'17, 17' : 0.16765000E+01,
|
|
'18, 18' : 0.16765000E+01,
|
|
'19, 19' : 0.16765000E+01,
|
|
},
|
|
'S.ezfio' : {
|
|
'1, 1' : 0.12081533E+03,
|
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'2, 1' : -0.65835399E+01,
|
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'2, 2' : 0.55022426E+01,
|
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|
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|
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|
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|
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|
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|
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|
|
'9, 6' : 0.50685037E+00,
|
|
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|
|
'10, 7' : 0.50685037E+00,
|
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'10, 10' : 0.12931826E+01,
|
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|
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'11, 8' : 0.34131320E+00,
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|
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'12, 6' : 0.59421902E-01,
|
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'12, 9' : 0.34131320E+00,
|
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'12, 12' : 0.35175000E+00,
|
|
'13, 7' : 0.59421902E-01,
|
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|
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'13, 13' : 0.35175000E+00,
|
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'14, 1' : -0.10151573E+00,
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|
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|
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|
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'14, 14' : 0.10378333E+01,
|
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|
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|
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|
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|
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|
|
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|
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|
|
'18, 18' : 0.16765000E+01,
|
|
'19, 19' : 0.16765000E+01,
|
|
},
|
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'S+.ezfio' : {
|
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'1, 1' : 0.12081533E+03,
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|
|
'19, 19' : 0.16765000E+01,
|
|
'20, 1' : -0.50578466E-02,
|
|
'20, 2' : -0.30006920E-01,
|
|
'20, 3' : 0.68431625E-02,
|
|
'20, 4' : 0.56697097E-01,
|
|
'20, 7' : 0.45508198E-02,
|
|
'20, 10' : -0.12035696E+00,
|
|
'20, 13' : -0.20397976E+00,
|
|
'20, 14' : -0.58301402E-01,
|
|
'20, 15' : -0.58301402E-01,
|
|
'20, 16' : 0.25267886E+00,
|
|
'20, 20' : 0.96945723E+00,
|
|
'21, 1' : 0.26503997E-02,
|
|
'21, 2' : 0.19145866E-01,
|
|
'21, 3' : 0.68869186E-01,
|
|
'21, 4' : 0.88913214E-01,
|
|
'21, 7' : -0.12606184E-01,
|
|
'21, 10' : -0.95353864E-01,
|
|
'21, 13' : -0.15622309E+00,
|
|
'21, 14' : 0.39824357E-01,
|
|
'21, 15' : 0.39824357E-01,
|
|
'21, 16' : 0.10347251E+00,
|
|
'21, 20' : 0.20123413E+00,
|
|
'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.13401150E-01,
|
|
'22, 8' : 0.39392856E-01,
|
|
'22, 11' : 0.85170131E-01,
|
|
'22, 18' : -0.26574493E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 6' : -0.13401150E-01,
|
|
'23, 9' : 0.39392856E-01,
|
|
'23, 12' : 0.85170131E-01,
|
|
'23, 19' : -0.26574493E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.15647731E-01,
|
|
'24, 2' : -0.80266872E-01,
|
|
'24, 3' : 0.15415558E+00,
|
|
'24, 4' : 0.92940323E-01,
|
|
'24, 7' : 0.11737147E-01,
|
|
'24, 10' : -0.40887072E+00,
|
|
'24, 13' : -0.12857223E+00,
|
|
'24, 14' : -0.61932146E-01,
|
|
'24, 15' : -0.61932146E-01,
|
|
'24, 16' : 0.60718056E+00,
|
|
'24, 24' : 0.18175000E+01,
|
|
},
|
|
'Si2.ezfio' : {
|
|
'1, 1' : 0.92055446E+02,
|
|
'2, 1' : -0.49228111E+01,
|
|
'2, 2' : 0.38956736E+01,
|
|
'3, 1' : -0.38936523E+00,
|
|
'3, 2' : -0.73659330E+00,
|
|
'3, 3' : 0.57371047E+00,
|
|
'4, 1' : 0.98740802E-02,
|
|
'4, 2' : 0.70014694E-01,
|
|
'4, 3' : 0.16608506E+00,
|
|
'4, 4' : 0.13864500E+00,
|
|
'5, 5' : 0.12324851E+02,
|
|
'6, 6' : 0.12324851E+02,
|
|
'7, 7' : 0.12324851E+02,
|
|
'8, 5' : 0.26075634E+00,
|
|
'8, 8' : 0.77370053E+00,
|
|
'9, 6' : 0.26075634E+00,
|
|
'9, 9' : 0.77370053E+00,
|
|
'10, 7' : 0.26075634E+00,
|
|
'10, 10' : 0.77370053E+00,
|
|
'11, 5' : 0.33617064E-01,
|
|
'11, 8' : 0.21558058E+00,
|
|
'11, 11' : 0.21920000E+00,
|
|
'12, 6' : 0.33617064E-01,
|
|
'12, 9' : 0.21558058E+00,
|
|
'12, 12' : 0.21920000E+00,
|
|
'13, 7' : 0.33617064E-01,
|
|
'13, 10' : 0.21558058E+00,
|
|
'13, 13' : 0.21920000E+00,
|
|
'14, 1' : -0.48181446E-01,
|
|
'14, 2' : -0.19811378E+00,
|
|
'14, 3' : 0.18810750E+00,
|
|
'14, 4' : 0.11250791E+00,
|
|
'14, 14' : 0.59583333E+00,
|
|
'15, 1' : -0.48181446E-01,
|
|
'15, 2' : -0.19811378E+00,
|
|
'15, 3' : 0.18810750E+00,
|
|
'15, 4' : 0.11250791E+00,
|
|
'15, 14' : -0.45833333E-01,
|
|
'15, 15' : 0.59583333E+00,
|
|
'16, 1' : -0.48181446E-01,
|
|
'16, 2' : -0.19811378E+00,
|
|
'16, 3' : 0.18810750E+00,
|
|
'16, 4' : 0.11250791E+00,
|
|
'16, 14' : -0.45833333E-01,
|
|
'16, 15' : -0.45833333E-01,
|
|
'16, 16' : 0.59583333E+00,
|
|
'17, 17' : 0.96250000E+00,
|
|
'18, 18' : 0.96250000E+00,
|
|
'19, 19' : 0.96250000E+00,
|
|
'20, 3' : -0.13211053E-02,
|
|
'20, 4' : -0.25649507E-03,
|
|
'20, 10' : 0.27985840E-02,
|
|
'20, 13' : -0.26117276E-02,
|
|
'20, 14' : -0.33029913E-03,
|
|
'20, 15' : -0.33029913E-03,
|
|
'20, 16' : -0.52584108E-02,
|
|
'20, 20' : 0.92055446E+02,
|
|
'21, 3' : -0.10875306E-01,
|
|
'21, 4' : -0.12807583E-02,
|
|
'21, 7' : 0.39295039E-04,
|
|
'21, 10' : 0.20953732E-01,
|
|
'21, 13' : -0.20575195E-01,
|
|
'21, 14' : -0.42075671E-02,
|
|
'21, 15' : -0.42075671E-02,
|
|
'21, 16' : -0.28947305E-01,
|
|
'21, 20' : -0.49228111E+01,
|
|
'21, 21' : 0.38956736E+01,
|
|
'22, 1' : -0.13211053E-02,
|
|
'22, 2' : -0.10875306E-01,
|
|
'22, 3' : -0.17798007E-01,
|
|
'22, 4' : 0.94046383E-02,
|
|
'22, 7' : 0.70405579E-02,
|
|
'22, 10' : -0.64814398E-02,
|
|
'22, 13' : -0.80724423E-01,
|
|
'22, 14' : -0.27649219E-01,
|
|
'22, 15' : -0.27649219E-01,
|
|
'22, 16' : 0.57352286E-01,
|
|
'22, 20' : -0.38936523E+00,
|
|
'22, 21' : -0.73659330E+00,
|
|
'22, 22' : 0.57371047E+00,
|
|
'23, 1' : -0.25649507E-03,
|
|
'23, 2' : -0.12807583E-02,
|
|
'23, 3' : 0.94046383E-02,
|
|
'23, 4' : 0.24846580E-01,
|
|
'23, 7' : -0.33058048E-02,
|
|
'23, 10' : -0.38524721E-01,
|
|
'23, 13' : -0.84629927E-01,
|
|
'23, 14' : -0.33942487E-02,
|
|
'23, 15' : -0.33942487E-02,
|
|
'23, 16' : 0.47542779E-01,
|
|
'23, 20' : 0.98740802E-02,
|
|
'23, 21' : 0.70014694E-01,
|
|
'23, 22' : 0.16608506E+00,
|
|
'23, 23' : 0.13864500E+00,
|
|
'24, 5' : -0.82795591E-05,
|
|
'24, 8' : -0.26795119E-02,
|
|
'24, 11' : 0.26703306E-02,
|
|
'24, 18' : 0.53271847E-02,
|
|
'24, 24' : 0.12324851E+02,
|
|
'25, 6' : -0.82795591E-05,
|
|
'25, 9' : -0.26795119E-02,
|
|
'25, 12' : 0.26703306E-02,
|
|
'25, 19' : 0.53271847E-02,
|
|
'25, 25' : 0.12324851E+02,
|
|
'26, 2' : -0.39295039E-04,
|
|
'26, 3' : -0.70405579E-02,
|
|
'26, 4' : 0.33058048E-02,
|
|
'26, 7' : 0.16054085E-03,
|
|
'26, 10' : 0.11241109E-01,
|
|
'26, 13' : -0.14458041E-01,
|
|
'26, 14' : -0.43316091E-02,
|
|
'26, 15' : -0.43316091E-02,
|
|
'26, 16' : 0.35734162E-02,
|
|
'26, 26' : 0.12324851E+02,
|
|
'27, 5' : -0.26795119E-02,
|
|
'27, 8' : -0.53591418E-02,
|
|
'27, 11' : 0.29917134E-01,
|
|
'27, 18' : -0.37277166E-01,
|
|
'27, 24' : 0.26075634E+00,
|
|
'27, 27' : 0.77370053E+00,
|
|
'28, 6' : -0.26795119E-02,
|
|
'28, 9' : -0.53591418E-02,
|
|
'28, 12' : 0.29917134E-01,
|
|
'28, 19' : -0.37277166E-01,
|
|
'28, 25' : 0.26075634E+00,
|
|
'28, 28' : 0.77370053E+00,
|
|
'29, 1' : -0.27985840E-02,
|
|
'29, 2' : -0.20953732E-01,
|
|
'29, 3' : 0.64814398E-02,
|
|
'29, 4' : 0.38524721E-01,
|
|
'29, 7' : 0.11241109E-01,
|
|
'29, 10' : -0.73225502E-01,
|
|
'29, 13' : -0.10737851E+00,
|
|
'29, 14' : -0.30676819E-01,
|
|
'29, 15' : -0.30676819E-01,
|
|
'29, 16' : 0.18284816E+00,
|
|
'29, 26' : 0.26075634E+00,
|
|
'29, 29' : 0.77370053E+00,
|
|
'30, 5' : 0.26703306E-02,
|
|
'30, 8' : 0.29917134E-01,
|
|
'30, 11' : 0.65026190E-01,
|
|
'30, 18' : -0.64522125E-01,
|
|
'30, 24' : 0.33617064E-01,
|
|
'30, 27' : 0.21558058E+00,
|
|
'30, 30' : 0.21920000E+00,
|
|
'31, 6' : 0.26703306E-02,
|
|
'31, 9' : 0.29917134E-01,
|
|
'31, 12' : 0.65026190E-01,
|
|
'31, 19' : -0.64522125E-01,
|
|
'31, 25' : 0.33617064E-01,
|
|
'31, 28' : 0.21558058E+00,
|
|
'31, 31' : 0.21920000E+00,
|
|
'32, 1' : 0.26117276E-02,
|
|
'32, 2' : 0.20575195E-01,
|
|
'32, 3' : 0.80724423E-01,
|
|
'32, 4' : 0.84629927E-01,
|
|
'32, 7' : -0.14458041E-01,
|
|
'32, 10' : -0.10737851E+00,
|
|
'32, 13' : -0.10474081E+00,
|
|
'32, 14' : 0.48615868E-01,
|
|
'32, 15' : 0.48615868E-01,
|
|
'32, 16' : 0.10754211E+00,
|
|
'32, 26' : 0.33617064E-01,
|
|
'32, 29' : 0.21558058E+00,
|
|
'32, 32' : 0.21920000E+00,
|
|
'33, 1' : -0.33029913E-03,
|
|
'33, 2' : -0.42075671E-02,
|
|
'33, 3' : -0.27649219E-01,
|
|
'33, 4' : -0.33942487E-02,
|
|
'33, 7' : 0.43316091E-02,
|
|
'33, 10' : 0.30676819E-01,
|
|
'33, 13' : -0.48615868E-01,
|
|
'33, 14' : -0.84553478E-02,
|
|
'33, 15' : -0.21577260E-01,
|
|
'33, 16' : -0.24009019E-01,
|
|
'33, 20' : -0.48181446E-01,
|
|
'33, 21' : -0.19811378E+00,
|
|
'33, 22' : 0.18810750E+00,
|
|
'33, 23' : 0.11250791E+00,
|
|
'33, 33' : 0.59583333E+00,
|
|
'34, 1' : -0.33029913E-03,
|
|
'34, 2' : -0.42075671E-02,
|
|
'34, 3' : -0.27649219E-01,
|
|
'34, 4' : -0.33942487E-02,
|
|
'34, 7' : 0.43316091E-02,
|
|
'34, 10' : 0.30676819E-01,
|
|
'34, 13' : -0.48615868E-01,
|
|
'34, 14' : -0.21577260E-01,
|
|
'34, 15' : -0.84553478E-02,
|
|
'34, 16' : -0.24009019E-01,
|
|
'34, 20' : -0.48181446E-01,
|
|
'34, 21' : -0.19811378E+00,
|
|
'34, 22' : 0.18810750E+00,
|
|
'34, 23' : 0.11250791E+00,
|
|
'34, 33' : -0.45833333E-01,
|
|
'34, 34' : 0.59583333E+00,
|
|
'35, 1' : -0.52584108E-02,
|
|
'35, 2' : -0.28947305E-01,
|
|
'35, 3' : 0.57352286E-01,
|
|
'35, 4' : 0.47542779E-01,
|
|
'35, 7' : -0.35734162E-02,
|
|
'35, 10' : -0.18284816E+00,
|
|
'35, 13' : -0.10754211E+00,
|
|
'35, 14' : -0.24009019E-01,
|
|
'35, 15' : -0.24009019E-01,
|
|
'35, 16' : 0.25135226E+00,
|
|
'35, 20' : -0.48181446E-01,
|
|
'35, 21' : -0.19811378E+00,
|
|
'35, 22' : 0.18810750E+00,
|
|
'35, 23' : 0.11250791E+00,
|
|
'35, 33' : -0.45833333E-01,
|
|
'35, 34' : -0.45833333E-01,
|
|
'35, 35' : 0.59583333E+00,
|
|
'36, 17' : 0.19682868E-01,
|
|
'36, 36' : 0.96250000E+00,
|
|
'37, 5' : -0.53271847E-02,
|
|
'37, 8' : 0.37277166E-01,
|
|
'37, 11' : 0.64522125E-01,
|
|
'37, 18' : -0.18974165E+00,
|
|
'37, 37' : 0.96250000E+00,
|
|
'38, 6' : -0.53271847E-02,
|
|
'38, 9' : 0.37277166E-01,
|
|
'38, 12' : 0.64522125E-01,
|
|
'38, 19' : -0.18974165E+00,
|
|
'38, 38' : 0.96250000E+00,
|
|
},
|
|
'SiCl.ezfio' : {
|
|
'1, 1' : 0.92055446E+02,
|
|
'2, 1' : -0.49228111E+01,
|
|
'2, 2' : 0.38956736E+01,
|
|
'3, 1' : -0.38936523E+00,
|
|
'3, 2' : -0.73659330E+00,
|
|
'3, 3' : 0.57371047E+00,
|
|
'4, 1' : 0.98740802E-02,
|
|
'4, 2' : 0.70014694E-01,
|
|
'4, 3' : 0.16608506E+00,
|
|
'4, 4' : 0.13864500E+00,
|
|
'5, 5' : 0.12324851E+02,
|
|
'6, 6' : 0.12324851E+02,
|
|
'7, 7' : 0.12324851E+02,
|
|
'8, 5' : 0.26075634E+00,
|
|
'8, 8' : 0.77370053E+00,
|
|
'9, 6' : 0.26075634E+00,
|
|
'9, 9' : 0.77370053E+00,
|
|
'10, 7' : 0.26075634E+00,
|
|
'10, 10' : 0.77370053E+00,
|
|
'11, 5' : 0.33617064E-01,
|
|
'11, 8' : 0.21558058E+00,
|
|
'11, 11' : 0.21920000E+00,
|
|
'12, 6' : 0.33617064E-01,
|
|
'12, 9' : 0.21558058E+00,
|
|
'12, 12' : 0.21920000E+00,
|
|
'13, 7' : 0.33617064E-01,
|
|
'13, 10' : 0.21558058E+00,
|
|
'13, 13' : 0.21920000E+00,
|
|
'14, 1' : -0.48181446E-01,
|
|
'14, 2' : -0.19811378E+00,
|
|
'14, 3' : 0.18810750E+00,
|
|
'14, 4' : 0.11250791E+00,
|
|
'14, 14' : 0.59583333E+00,
|
|
'15, 1' : -0.48181446E-01,
|
|
'15, 2' : -0.19811378E+00,
|
|
'15, 3' : 0.18810750E+00,
|
|
'15, 4' : 0.11250791E+00,
|
|
'15, 14' : -0.45833333E-01,
|
|
'15, 15' : 0.59583333E+00,
|
|
'16, 1' : -0.48181446E-01,
|
|
'16, 2' : -0.19811378E+00,
|
|
'16, 3' : 0.18810750E+00,
|
|
'16, 4' : 0.11250791E+00,
|
|
'16, 14' : -0.45833333E-01,
|
|
'16, 15' : -0.45833333E-01,
|
|
'16, 16' : 0.59583333E+00,
|
|
'17, 17' : 0.96250000E+00,
|
|
'18, 18' : 0.96250000E+00,
|
|
'19, 19' : 0.96250000E+00,
|
|
'20, 3' : -0.15523904E-02,
|
|
'20, 4' : 0.51259152E-04,
|
|
'20, 10' : -0.31896384E-02,
|
|
'20, 13' : 0.29649091E-02,
|
|
'20, 14' : -0.52029905E-03,
|
|
'20, 15' : -0.52029905E-03,
|
|
'20, 16' : -0.40017806E-02,
|
|
'20, 20' : 0.13666782E+03,
|
|
'21, 3' : -0.10899316E-01,
|
|
'21, 4' : 0.66012888E-03,
|
|
'21, 7' : -0.30296541E-04,
|
|
'21, 10' : -0.20583196E-01,
|
|
'21, 13' : 0.20848973E-01,
|
|
'21, 14' : -0.46613694E-02,
|
|
'21, 15' : -0.46613694E-02,
|
|
'21, 16' : -0.19602954E-01,
|
|
'21, 20' : -0.75291988E+01,
|
|
'21, 21' : 0.64116596E+01,
|
|
'22, 1' : -0.29714150E-03,
|
|
'22, 2' : -0.53980018E-02,
|
|
'22, 3' : -0.26761821E-01,
|
|
'22, 4' : 0.80662737E-02,
|
|
'22, 7' : -0.78591630E-02,
|
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},
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|
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|
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},
|
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|
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'2, 2' : 0.38956736E+01,
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|
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|
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'21, 15' : 0.20013108E-01,
|
|
'21, 16' : 0.12358444E+00,
|
|
'21, 20' : 0.20123413E+00,
|
|
'21, 21' : 0.18300000E+00,
|
|
'22, 5' : -0.12382062E-01,
|
|
'22, 8' : 0.37282646E-01,
|
|
'22, 11' : 0.44873950E-01,
|
|
'22, 18' : -0.22264165E+00,
|
|
'22, 22' : 0.18175000E+01,
|
|
'23, 6' : -0.12382062E-01,
|
|
'23, 9' : 0.37282646E-01,
|
|
'23, 12' : 0.44873950E-01,
|
|
'23, 19' : -0.22264165E+00,
|
|
'23, 23' : 0.18175000E+01,
|
|
'24, 1' : -0.97708271E-02,
|
|
'24, 2' : -0.67810033E-01,
|
|
'24, 3' : 0.11558011E+00,
|
|
'24, 4' : 0.41678263E-01,
|
|
'24, 7' : 0.38815823E-01,
|
|
'24, 10' : -0.29069698E+00,
|
|
'24, 13' : -0.46858718E-01,
|
|
'24, 14' : -0.49153270E-01,
|
|
'24, 15' : -0.49153270E-01,
|
|
'24, 16' : 0.36724267E+00,
|
|
'24, 24' : 0.18175000E+01,
|
|
},
|
|
'SiS.ezfio' : {
|
|
'1, 1' : 0.92055446E+02,
|
|
'2, 1' : -0.49228111E+01,
|
|
'2, 2' : 0.38956736E+01,
|
|
'3, 1' : -0.38936523E+00,
|
|
'3, 2' : -0.73659330E+00,
|
|
'3, 3' : 0.57371047E+00,
|
|
'4, 1' : 0.98740802E-02,
|
|
'4, 2' : 0.70014694E-01,
|
|
'4, 3' : 0.16608506E+00,
|
|
'4, 4' : 0.13864500E+00,
|
|
'5, 5' : 0.12324851E+02,
|
|
'6, 6' : 0.12324851E+02,
|
|
'7, 7' : 0.12324851E+02,
|
|
'8, 5' : 0.26075634E+00,
|
|
'8, 8' : 0.77370053E+00,
|
|
'9, 6' : 0.26075634E+00,
|
|
'9, 9' : 0.77370053E+00,
|
|
'10, 7' : 0.26075634E+00,
|
|
'10, 10' : 0.77370053E+00,
|
|
'11, 5' : 0.33617064E-01,
|
|
'11, 8' : 0.21558058E+00,
|
|
'11, 11' : 0.21920000E+00,
|
|
'12, 6' : 0.33617064E-01,
|
|
'12, 9' : 0.21558058E+00,
|
|
'12, 12' : 0.21920000E+00,
|
|
'13, 7' : 0.33617064E-01,
|
|
'13, 10' : 0.21558058E+00,
|
|
'13, 13' : 0.21920000E+00,
|
|
'14, 1' : -0.48181446E-01,
|
|
'14, 2' : -0.19811378E+00,
|
|
'14, 3' : 0.18810750E+00,
|
|
'14, 4' : 0.11250791E+00,
|
|
'14, 14' : 0.59583333E+00,
|
|
'15, 1' : -0.48181446E-01,
|
|
'15, 2' : -0.19811378E+00,
|
|
'15, 3' : 0.18810750E+00,
|
|
'15, 4' : 0.11250791E+00,
|
|
'15, 14' : -0.45833333E-01,
|
|
'15, 15' : 0.59583333E+00,
|
|
'16, 1' : -0.48181446E-01,
|
|
'16, 2' : -0.19811378E+00,
|
|
'16, 3' : 0.18810750E+00,
|
|
'16, 4' : 0.11250791E+00,
|
|
'16, 14' : -0.45833333E-01,
|
|
'16, 15' : -0.45833333E-01,
|
|
'16, 16' : 0.59583333E+00,
|
|
'17, 17' : 0.96250000E+00,
|
|
'18, 18' : 0.96250000E+00,
|
|
'19, 19' : 0.96250000E+00,
|
|
'20, 3' : -0.22806252E-02,
|
|
'20, 4' : 0.38180516E-03,
|
|
'20, 7' : -0.58628680E-06,
|
|
'20, 10' : -0.42993728E-02,
|
|
'20, 13' : 0.42803456E-02,
|
|
'20, 14' : -0.10344540E-02,
|
|
'20, 15' : -0.10344540E-02,
|
|
'20, 16' : -0.25095729E-02,
|
|
'20, 20' : 0.12081533E+03,
|
|
'21, 2' : -0.38600047E-04,
|
|
'21, 3' : -0.15374328E-01,
|
|
'21, 4' : 0.31287824E-02,
|
|
'21, 7' : -0.24621070E-03,
|
|
'21, 10' : -0.24806062E-01,
|
|
'21, 13' : 0.30323898E-01,
|
|
'21, 14' : -0.89343545E-02,
|
|
'21, 15' : -0.89343545E-02,
|
|
'21, 16' : -0.33514765E-02,
|
|
'21, 20' : -0.65835399E+01,
|
|
'21, 21' : 0.55022426E+01,
|
|
'22, 1' : -0.15393028E-02,
|
|
'22, 2' : -0.15562298E-01,
|
|
'22, 3' : -0.17033541E-01,
|
|
'22, 4' : 0.18532170E-01,
|
|
'22, 7' : -0.14972500E-01,
|
|
'22, 10' : 0.20399908E-01,
|
|
'22, 13' : 0.10021021E+00,
|
|
'22, 14' : -0.37364804E-01,
|
|
'22, 15' : -0.37364804E-01,
|
|
'22, 16' : 0.11491699E+00,
|
|
'22, 20' : -0.55110282E+00,
|
|
'22, 21' : -0.12922361E+01,
|
|
'22, 22' : 0.10758422E+01,
|
|
'23, 1' : -0.12248259E-02,
|
|
'23, 2' : -0.70722010E-02,
|
|
'23, 3' : 0.13816860E-01,
|
|
'23, 4' : 0.35474536E-01,
|
|
'23, 7' : 0.48855508E-02,
|
|
'23, 10' : 0.70787775E-01,
|
|
'23, 13' : 0.11951950E+00,
|
|
'23, 14' : -0.15320974E-01,
|
|
'23, 15' : -0.15320974E-01,
|
|
'23, 16' : 0.10296013E+00,
|
|
'23, 20' : 0.20308087E-01,
|
|
'23, 21' : 0.13203108E+00,
|
|
'23, 22' : 0.27852707E+00,
|
|
'23, 23' : 0.23550000E+00,
|
|
'24, 5' : -0.42957618E-04,
|
|
'24, 8' : -0.29962823E-02,
|
|
'24, 11' : 0.37590863E-02,
|
|
'24, 18' : 0.14266170E-02,
|
|
'24, 24' : 0.17704568E+02,
|
|
'25, 6' : -0.42957618E-04,
|
|
'25, 9' : -0.29962823E-02,
|
|
'25, 12' : 0.37590863E-02,
|
|
'25, 19' : 0.14266170E-02,
|
|
'25, 25' : 0.17704568E+02,
|
|
'26, 2' : 0.17685653E-03,
|
|
'26, 3' : 0.43178148E-02,
|
|
'26, 4' : -0.42422075E-02,
|
|
'26, 7' : 0.68642040E-03,
|
|
'26, 10' : -0.81695285E-03,
|
|
'26, 13' : -0.11306295E-01,
|
|
'26, 14' : 0.67803267E-02,
|
|
'26, 15' : 0.67803267E-02,
|
|
'26, 16' : -0.38688426E-01,
|
|
'26, 26' : 0.17704568E+02,
|
|
'27, 5' : -0.44590885E-02,
|
|
'27, 8' : -0.79503222E-03,
|
|
'27, 11' : 0.34738040E-01,
|
|
'27, 18' : 0.77606301E-01,
|
|
'27, 24' : 0.50685037E+00,
|
|
'27, 27' : 0.12931826E+01,
|
|
'28, 6' : -0.44590885E-02,
|
|
'28, 9' : -0.79503222E-03,
|
|
'28, 12' : 0.34738040E-01,
|
|
'28, 19' : 0.77606301E-01,
|
|
'28, 25' : 0.50685037E+00,
|
|
'28, 28' : 0.12931826E+01,
|
|
'29, 1' : 0.35442944E-02,
|
|
'29, 2' : 0.29940163E-01,
|
|
'29, 3' : -0.29296676E-01,
|
|
'29, 4' : -0.39438718E-01,
|
|
'29, 7' : 0.23025788E-01,
|
|
'29, 10' : -0.12815971E+00,
|
|
'29, 13' : -0.82559174E-01,
|
|
'29, 14' : 0.37914320E-01,
|
|
'29, 15' : 0.37914320E-01,
|
|
'29, 16' : -0.28105182E+00,
|
|
'29, 26' : 0.50685037E+00,
|
|
'29, 29' : 0.12931826E+01,
|
|
'30, 5' : 0.43801287E-02,
|
|
'30, 8' : 0.51782002E-01,
|
|
'30, 11' : 0.85344222E-01,
|
|
'30, 18' : 0.13373845E+00,
|
|
'30, 24' : 0.59421902E-01,
|
|
'30, 27' : 0.34131320E+00,
|
|
'30, 30' : 0.35175000E+00,
|
|
'31, 6' : 0.43801287E-02,
|
|
'31, 9' : 0.51782002E-01,
|
|
'31, 12' : 0.85344222E-01,
|
|
'31, 19' : 0.13373845E+00,
|
|
'31, 25' : 0.59421902E-01,
|
|
'31, 28' : 0.34131320E+00,
|
|
'31, 31' : 0.35175000E+00,
|
|
'32, 1' : -0.33686592E-02,
|
|
'32, 2' : -0.28734511E-01,
|
|
'32, 3' : -0.11768812E+00,
|
|
'32, 4' : -0.96553996E-01,
|
|
'32, 7' : -0.32317480E-01,
|
|
'32, 10' : -0.19622490E+00,
|
|
'32, 13' : -0.11112557E+00,
|
|
'32, 14' : -0.48793645E-01,
|
|
'32, 15' : -0.48793645E-01,
|
|
'32, 16' : -0.17741342E+00,
|
|
'32, 26' : 0.59421902E-01,
|
|
'32, 29' : 0.34131320E+00,
|
|
'32, 32' : 0.35175000E+00,
|
|
'33, 1' : -0.24888283E-03,
|
|
'33, 2' : -0.54448239E-02,
|
|
'33, 3' : -0.33617860E-01,
|
|
'33, 4' : 0.83631118E-02,
|
|
'33, 7' : -0.72712740E-02,
|
|
'33, 10' : -0.31563604E-01,
|
|
'33, 13' : 0.78468580E-01,
|
|
'33, 14' : -0.89509793E-02,
|
|
'33, 15' : -0.30232838E-01,
|
|
'33, 16' : 0.12847239E-01,
|
|
'33, 20' : -0.10151573E+00,
|
|
'33, 21' : -0.34551235E+00,
|
|
'33, 22' : 0.36457368E+00,
|
|
'33, 23' : 0.19306598E+00,
|
|
'33, 33' : 0.10378333E+01,
|
|
'34, 1' : -0.24888283E-03,
|
|
'34, 2' : -0.54448239E-02,
|
|
'34, 3' : -0.33617860E-01,
|
|
'34, 4' : 0.83631118E-02,
|
|
'34, 7' : -0.72712740E-02,
|
|
'34, 10' : -0.31563604E-01,
|
|
'34, 13' : 0.78468580E-01,
|
|
'34, 14' : -0.30232838E-01,
|
|
'34, 15' : -0.89509793E-02,
|
|
'34, 16' : 0.12847239E-01,
|
|
'34, 20' : -0.10151573E+00,
|
|
'34, 21' : -0.34551235E+00,
|
|
'34, 22' : 0.36457368E+00,
|
|
'34, 23' : 0.19306598E+00,
|
|
'34, 33' : -0.79833333E-01,
|
|
'34, 34' : 0.10378333E+01,
|
|
'35, 1' : -0.81409590E-02,
|
|
'35, 2' : -0.51735494E-01,
|
|
'35, 3' : 0.71013748E-01,
|
|
'35, 4' : 0.41236343E-01,
|
|
'35, 7' : -0.20766789E-01,
|
|
'35, 10' : 0.21583345E+00,
|
|
'35, 13' : 0.10104163E+00,
|
|
'35, 14' : -0.46208692E-01,
|
|
'35, 15' : -0.46208692E-01,
|
|
'35, 16' : 0.30404112E+00,
|
|
'35, 20' : -0.10151573E+00,
|
|
'35, 21' : -0.34551235E+00,
|
|
'35, 22' : 0.36457368E+00,
|
|
'35, 23' : 0.19306598E+00,
|
|
'35, 33' : -0.79833333E-01,
|
|
'35, 34' : -0.79833333E-01,
|
|
'35, 35' : 0.10378333E+01,
|
|
'36, 17' : 0.31922788E-01,
|
|
'36, 36' : 0.16765000E+01,
|
|
'37, 5' : 0.11592456E-01,
|
|
'37, 8' : -0.52669993E-01,
|
|
'37, 11' : -0.47366166E-01,
|
|
'37, 18' : -0.25483391E+00,
|
|
'37, 37' : 0.16765000E+01,
|
|
'38, 6' : 0.11592456E-01,
|
|
'38, 9' : -0.52669993E-01,
|
|
'38, 12' : -0.47366166E-01,
|
|
'38, 19' : -0.25483391E+00,
|
|
'38, 38' : 0.16765000E+01,
|
|
},
|
|
}
|