mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-05 19:04:45 +02:00
64455 lines
1.8 MiB
64455 lines
1.8 MiB
data = {
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'2, 1' : -0.15722808E+02,
|
|
'2, 2' : -0.26293510E+02,
|
|
'3, 1' : 0.17319018E+01,
|
|
'3, 2' : -0.19713003E+01,
|
|
'3, 3' : -0.67839316E+01,
|
|
'4, 1' : -0.24113889E+01,
|
|
'4, 2' : -0.44782229E+01,
|
|
'4, 3' : -0.52391788E+01,
|
|
'4, 4' : -0.52779614E+01,
|
|
'5, 5' : -0.28819015E+02,
|
|
'6, 6' : -0.28819015E+02,
|
|
'7, 7' : -0.28819015E+02,
|
|
'8, 5' : -0.36071852E+01,
|
|
'8, 8' : -0.64404985E+01,
|
|
'9, 6' : -0.36071852E+01,
|
|
'9, 9' : -0.64404985E+01,
|
|
'10, 7' : -0.36071852E+01,
|
|
'10, 10' : -0.64404985E+01,
|
|
'11, 5' : -0.91224386E+00,
|
|
'11, 8' : -0.31849395E+01,
|
|
'11, 11' : -0.33836895E+01,
|
|
'12, 6' : -0.91224386E+00,
|
|
'12, 9' : -0.31849395E+01,
|
|
'12, 12' : -0.33836895E+01,
|
|
'13, 7' : -0.91224386E+00,
|
|
'13, 10' : -0.31849395E+01,
|
|
'13, 13' : -0.33836895E+01,
|
|
'14, 1' : -0.32716375E-01,
|
|
'14, 2' : -0.77739265E+00,
|
|
'14, 3' : -0.36848017E+01,
|
|
'14, 4' : -0.34491751E+01,
|
|
'14, 14' : -0.48099774E+01,
|
|
'15, 1' : -0.32716375E-01,
|
|
'15, 2' : -0.77739265E+00,
|
|
'15, 3' : -0.36848017E+01,
|
|
'15, 4' : -0.34491751E+01,
|
|
'15, 14' : -0.16033258E+01,
|
|
'15, 15' : -0.48099774E+01,
|
|
'16, 1' : -0.32716375E-01,
|
|
'16, 2' : -0.77739265E+00,
|
|
'16, 3' : -0.36848017E+01,
|
|
'16, 4' : -0.34491751E+01,
|
|
'16, 14' : -0.16033258E+01,
|
|
'16, 15' : -0.16033258E+01,
|
|
'16, 16' : -0.48099774E+01,
|
|
'17, 17' : -0.48099774E+01,
|
|
'18, 18' : -0.48099774E+01,
|
|
'19, 19' : -0.48099774E+01,
|
|
},
|
|
'AlH2.ezfio' : {
|
|
'1, 1' : -0.16420769E+03,
|
|
'2, 1' : -0.15889762E+02,
|
|
'2, 2' : -0.26951803E+02,
|
|
'3, 1' : 0.17428199E+01,
|
|
'3, 2' : -0.21011776E+01,
|
|
'3, 3' : -0.74329127E+01,
|
|
'4, 1' : -0.24315513E+01,
|
|
'4, 2' : -0.46365721E+01,
|
|
'4, 3' : -0.57804748E+01,
|
|
'4, 4' : -0.58558648E+01,
|
|
'5, 5' : -0.29470988E+02,
|
|
'6, 6' : -0.29484864E+02,
|
|
'7, 1' : 0.51354036E-02,
|
|
'7, 2' : 0.38529572E-01,
|
|
'7, 3' : 0.19725922E-01,
|
|
'7, 4' : 0.16708264E-01,
|
|
'7, 7' : -0.29476072E+02,
|
|
'8, 5' : -0.37745121E+01,
|
|
'8, 8' : -0.70166746E+01,
|
|
'9, 6' : -0.37872640E+01,
|
|
'9, 9' : -0.71682253E+01,
|
|
'10, 1' : 0.19079998E-03,
|
|
'10, 2' : 0.15837523E-01,
|
|
'10, 3' : 0.13292296E+00,
|
|
'10, 4' : 0.12096056E+00,
|
|
'10, 7' : -0.37791839E+01,
|
|
'10, 10' : -0.70721970E+01,
|
|
'11, 5' : -0.95609531E+00,
|
|
'11, 8' : -0.35169246E+01,
|
|
'11, 11' : -0.38117221E+01,
|
|
'12, 6' : -0.96002611E+00,
|
|
'12, 9' : -0.36215643E+01,
|
|
'12, 12' : -0.39298476E+01,
|
|
'13, 1' : 0.50396363E-04,
|
|
'13, 2' : 0.41519908E-02,
|
|
'13, 3' : 0.81429142E-01,
|
|
'13, 4' : 0.10728281E+00,
|
|
'13, 7' : -0.95753540E+00,
|
|
'13, 10' : -0.35552606E+01,
|
|
'13, 13' : -0.38549988E+01,
|
|
'14, 1' : -0.33311943E-01,
|
|
'14, 2' : -0.81697766E+00,
|
|
'14, 3' : -0.40489522E+01,
|
|
'14, 4' : -0.38170056E+01,
|
|
'14, 7' : 0.36271283E-02,
|
|
'14, 10' : 0.42546827E-01,
|
|
'14, 13' : 0.34261947E-01,
|
|
'14, 14' : -0.53194061E+01,
|
|
'15, 1' : -0.33320774E-01,
|
|
'15, 2' : -0.82021571E+00,
|
|
'15, 3' : -0.41580739E+01,
|
|
'15, 4' : -0.39346200E+01,
|
|
'15, 7' : 0.54753116E-02,
|
|
'15, 10' : 0.10529110E+00,
|
|
'15, 13' : 0.87358923E-01,
|
|
'15, 14' : -0.17986907E+01,
|
|
'15, 15' : -0.55641300E+01,
|
|
'16, 1' : -0.33315178E-01,
|
|
'16, 2' : -0.81816396E+00,
|
|
'16, 3' : -0.40889302E+01,
|
|
'16, 4' : -0.38600950E+01,
|
|
'16, 7' : 0.11558489E-01,
|
|
'16, 10' : 0.15062760E+00,
|
|
'16, 13' : 0.12223856E+00,
|
|
'16, 14' : -0.17824979E+01,
|
|
'16, 15' : -0.18415357E+01,
|
|
'16, 16' : -0.53878478E+01,
|
|
'17, 17' : -0.53960721E+01,
|
|
'18, 5' : 0.62823705E-02,
|
|
'18, 8' : 0.73693266E-01,
|
|
'18, 11' : 0.59343434E-01,
|
|
'18, 18' : -0.53474936E+01,
|
|
'19, 6' : 0.94835179E-02,
|
|
'19, 9' : 0.18236953E+00,
|
|
'19, 12' : 0.15131009E+00,
|
|
'19, 19' : -0.55246072E+01,
|
|
'20, 1' : -0.14364690E+00,
|
|
'20, 2' : -0.41587293E+00,
|
|
'20, 3' : -0.17053943E+01,
|
|
'20, 4' : -0.17167287E+01,
|
|
'20, 6' : -0.37975168E+00,
|
|
'20, 7' : 0.23083404E+00,
|
|
'20, 9' : -0.22450227E+01,
|
|
'20, 10' : 0.13640549E+01,
|
|
'20, 12' : -0.17293244E+01,
|
|
'20, 13' : 0.10501871E+01,
|
|
'20, 14' : -0.43251114E+00,
|
|
'20, 15' : -0.24888848E+01,
|
|
'20, 16' : -0.11910494E+01,
|
|
'20, 19' : 0.21618352E+01,
|
|
'20, 20' : -0.58489944E+01,
|
|
'21, 1' : -0.12703004E+01,
|
|
'21, 2' : -0.24716730E+01,
|
|
'21, 3' : -0.34809638E+01,
|
|
'21, 4' : -0.36198940E+01,
|
|
'21, 6' : -0.68232032E+00,
|
|
'21, 7' : 0.42066692E+00,
|
|
'21, 9' : -0.24363413E+01,
|
|
'21, 10' : 0.15134688E+01,
|
|
'21, 12' : -0.23097767E+01,
|
|
'21, 13' : 0.14275490E+01,
|
|
'21, 14' : -0.19121111E+01,
|
|
'21, 15' : -0.30706861E+01,
|
|
'21, 16' : -0.23533677E+01,
|
|
'21, 19' : 0.12107324E+01,
|
|
'21, 20' : -0.37087410E+01,
|
|
'21, 21' : -0.48839444E+01,
|
|
'22, 5' : -0.81399727E-01,
|
|
'22, 8' : -0.81978248E+00,
|
|
'22, 11' : -0.62845732E+00,
|
|
'22, 17' : -0.14353463E+01,
|
|
'22, 18' : 0.87078152E+00,
|
|
'22, 22' : -0.52164991E+01,
|
|
'23, 1' : 0.88221270E-01,
|
|
'23, 2' : 0.41186999E+00,
|
|
'23, 3' : 0.13741703E+01,
|
|
'23, 4' : 0.83741225E+00,
|
|
'23, 6' : 0.47042078E+00,
|
|
'23, 7' : -0.33488657E+00,
|
|
'23, 9' : 0.14324149E+01,
|
|
'23, 10' : -0.13673605E+01,
|
|
'23, 12' : 0.16771350E+00,
|
|
'23, 13' : -0.48369290E+00,
|
|
'23, 14' : 0.28167106E+00,
|
|
'23, 15' : 0.66567254E+00,
|
|
'23, 16' : 0.10341349E+01,
|
|
'23, 19' : -0.12750450E+01,
|
|
'23, 20' : 0.78124044E+00,
|
|
'23, 21' : 0.73195311E+00,
|
|
'23, 23' : -0.55738254E+01,
|
|
'24, 1' : -0.53396655E-01,
|
|
'24, 2' : -0.24903288E+00,
|
|
'24, 3' : -0.82567960E+00,
|
|
'24, 4' : -0.50046634E+00,
|
|
'24, 6' : -0.33364812E+00,
|
|
'24, 7' : 0.12100378E+00,
|
|
'24, 9' : -0.13558226E+01,
|
|
'24, 10' : 0.23403780E-02,
|
|
'24, 12' : -0.47566351E+00,
|
|
'24, 13' : -0.34020689E+00,
|
|
'24, 14' : -0.16933627E+00,
|
|
'24, 15' : -0.13980598E+01,
|
|
'24, 16' : 0.38440700E+00,
|
|
'24, 19' : -0.14512825E+00,
|
|
'24, 20' : -0.45877589E+00,
|
|
'24, 21' : -0.42981631E+00,
|
|
'24, 23' : 0.21183651E+00,
|
|
'24, 24' : -0.53447192E+01,
|
|
'25, 1' : -0.14364690E+00,
|
|
'25, 2' : -0.41587293E+00,
|
|
'25, 3' : -0.17053943E+01,
|
|
'25, 4' : -0.17167287E+01,
|
|
'25, 6' : 0.37975168E+00,
|
|
'25, 7' : 0.23083404E+00,
|
|
'25, 9' : 0.22450227E+01,
|
|
'25, 10' : 0.13640549E+01,
|
|
'25, 12' : 0.17293244E+01,
|
|
'25, 13' : 0.10501871E+01,
|
|
'25, 14' : -0.43251114E+00,
|
|
'25, 15' : -0.24888848E+01,
|
|
'25, 16' : -0.11910494E+01,
|
|
'25, 19' : -0.21618352E+01,
|
|
'25, 20' : -0.14339385E-01,
|
|
'25, 21' : -0.33391974E+00,
|
|
'25, 23' : 0.13209217E-01,
|
|
'25, 24' : -0.12675810E-02,
|
|
'25, 25' : -0.58489944E+01,
|
|
'26, 1' : -0.12703004E+01,
|
|
'26, 2' : -0.24716730E+01,
|
|
'26, 3' : -0.34809638E+01,
|
|
'26, 4' : -0.36198940E+01,
|
|
'26, 6' : 0.68232032E+00,
|
|
'26, 7' : 0.42066692E+00,
|
|
'26, 9' : 0.24363413E+01,
|
|
'26, 10' : 0.15134688E+01,
|
|
'26, 12' : 0.23097767E+01,
|
|
'26, 13' : 0.14275490E+01,
|
|
'26, 14' : -0.19121111E+01,
|
|
'26, 15' : -0.30706861E+01,
|
|
'26, 16' : -0.23533677E+01,
|
|
'26, 19' : -0.12107324E+01,
|
|
'26, 20' : -0.33391974E+00,
|
|
'26, 21' : -0.12953650E+01,
|
|
'26, 23' : 0.33533051E+00,
|
|
'26, 24' : -0.49067129E-01,
|
|
'26, 25' : -0.37087410E+01,
|
|
'26, 26' : -0.48839444E+01,
|
|
'27, 5' : -0.81399727E-01,
|
|
'27, 8' : -0.81978248E+00,
|
|
'27, 11' : -0.62845732E+00,
|
|
'27, 17' : 0.14353463E+01,
|
|
'27, 18' : 0.87078152E+00,
|
|
'27, 22' : -0.42621908E-03,
|
|
'27, 27' : -0.52164991E+01,
|
|
'28, 1' : -0.88221270E-01,
|
|
'28, 2' : -0.41186999E+00,
|
|
'28, 3' : -0.13741703E+01,
|
|
'28, 4' : -0.83741225E+00,
|
|
'28, 6' : 0.47042078E+00,
|
|
'28, 7' : 0.33488657E+00,
|
|
'28, 9' : 0.14324149E+01,
|
|
'28, 10' : 0.13673605E+01,
|
|
'28, 12' : 0.16771350E+00,
|
|
'28, 13' : 0.48369290E+00,
|
|
'28, 14' : -0.28167106E+00,
|
|
'28, 15' : -0.66567254E+00,
|
|
'28, 16' : -0.10341349E+01,
|
|
'28, 19' : -0.12750450E+01,
|
|
'28, 20' : -0.13209217E-01,
|
|
'28, 21' : -0.33533051E+00,
|
|
'28, 23' : 0.91245668E-02,
|
|
'28, 24' : -0.69146871E-03,
|
|
'28, 25' : -0.78124044E+00,
|
|
'28, 26' : -0.73195311E+00,
|
|
'28, 28' : -0.55738254E+01,
|
|
'29, 1' : -0.53396655E-01,
|
|
'29, 2' : -0.24903288E+00,
|
|
'29, 3' : -0.82567960E+00,
|
|
'29, 4' : -0.50046634E+00,
|
|
'29, 6' : 0.33364812E+00,
|
|
'29, 7' : 0.12100378E+00,
|
|
'29, 9' : 0.13558226E+01,
|
|
'29, 10' : 0.23403780E-02,
|
|
'29, 12' : 0.47566351E+00,
|
|
'29, 13' : -0.34020689E+00,
|
|
'29, 14' : -0.16933627E+00,
|
|
'29, 15' : -0.13980598E+01,
|
|
'29, 16' : 0.38440700E+00,
|
|
'29, 19' : 0.14512825E+00,
|
|
'29, 20' : -0.12675810E-02,
|
|
'29, 21' : -0.49067129E-01,
|
|
'29, 23' : 0.69146871E-03,
|
|
'29, 24' : -0.57443388E-03,
|
|
'29, 25' : -0.45877589E+00,
|
|
'29, 26' : -0.42981631E+00,
|
|
'29, 28' : -0.21183651E+00,
|
|
'29, 29' : -0.53447192E+01,
|
|
},
|
|
'AlH3.ezfio' : {
|
|
'1, 1' : -0.16454848E+03,
|
|
'2, 1' : -0.15976191E+02,
|
|
'2, 2' : -0.27292591E+02,
|
|
'3, 1' : 0.17484721E+01,
|
|
'3, 2' : -0.21684130E+01,
|
|
'3, 3' : -0.77676353E+01,
|
|
'4, 1' : -0.24419891E+01,
|
|
'4, 2' : -0.47185469E+01,
|
|
'4, 3' : -0.60586161E+01,
|
|
'4, 4' : -0.61506288E+01,
|
|
'5, 5' : -0.29808278E+02,
|
|
'6, 6' : -0.29823006E+02,
|
|
'7, 1' : 0.11924410E-06,
|
|
'7, 2' : 0.89465685E-06,
|
|
'7, 3' : 0.45763281E-06,
|
|
'7, 4' : 0.38746072E-06,
|
|
'7, 7' : -0.29823006E+02,
|
|
'8, 5' : -0.38609256E+01,
|
|
'8, 8' : -0.73121245E+01,
|
|
'9, 6' : -0.38744595E+01,
|
|
'9, 9' : -0.74709005E+01,
|
|
'10, 1' : 0.44303766E-08,
|
|
'10, 2' : 0.36770899E-06,
|
|
'10, 3' : 0.25512407E-05,
|
|
'10, 4' : 0.19599643E-05,
|
|
'10, 7' : -0.38744594E+01,
|
|
'10, 10' : -0.74709006E+01,
|
|
'11, 5' : -0.97873199E+00,
|
|
'11, 8' : -0.36863665E+01,
|
|
'11, 11' : -0.40283229E+01,
|
|
'12, 6' : -0.98290285E+00,
|
|
'12, 9' : -0.37947194E+01,
|
|
'12, 12' : -0.41485864E+01,
|
|
'13, 1' : 0.11702039E-08,
|
|
'13, 2' : 0.96373802E-07,
|
|
'13, 3' : 0.11685784E-05,
|
|
'13, 4' : 0.95020038E-06,
|
|
'13, 7' : -0.98290283E+00,
|
|
'13, 10' : -0.37947200E+01,
|
|
'13, 13' : -0.41485880E+01,
|
|
'14, 1' : -0.33620114E-01,
|
|
'14, 2' : -0.83741712E+00,
|
|
'14, 3' : -0.42353001E+01,
|
|
'14, 4' : -0.40045957E+01,
|
|
'14, 7' : 0.75920630E-07,
|
|
'14, 10' : 0.62138362E-06,
|
|
'14, 13' : 0.37093662E-06,
|
|
'14, 14' : -0.55791284E+01,
|
|
'15, 1' : -0.33629488E-01,
|
|
'15, 2' : -0.84085402E+00,
|
|
'15, 3' : -0.43491431E+01,
|
|
'15, 4' : -0.41261799E+01,
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'34, 33' : -0.21765189E+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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},
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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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, 9' : 0.49504018E+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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'26, 14' : -0.34873099E+01,
|
|
'26, 20' : -0.21060060E+01,
|
|
'26, 23' : -0.67264326E+01,
|
|
'26, 26' : -0.74023835E+01,
|
|
'27, 5' : -0.25654982E+01,
|
|
'27, 8' : -0.31936448E+01,
|
|
'27, 15' : -0.34873099E+01,
|
|
'27, 21' : -0.21060060E+01,
|
|
'27, 24' : -0.67264326E+01,
|
|
'27, 27' : -0.74023835E+01,
|
|
'28, 1' : 0.20867665E+01,
|
|
'28, 2' : 0.45656586E+01,
|
|
'28, 3' : 0.30490049E+01,
|
|
'28, 6' : 0.32037972E+01,
|
|
'28, 9' : 0.14120562E+00,
|
|
'28, 10' : 0.27290479E+01,
|
|
'28, 11' : 0.27290479E+01,
|
|
'28, 12' : 0.36324583E+01,
|
|
'28, 16' : 0.23197559E-03,
|
|
'28, 17' : 0.13631162E-01,
|
|
'28, 18' : 0.22243167E+00,
|
|
'28, 19' : 0.41872002E+00,
|
|
'28, 22' : -0.21116835E+01,
|
|
'28, 25' : -0.68878012E+01,
|
|
'28, 28' : -0.78200526E+01,
|
|
'29, 1' : -0.24781805E-01,
|
|
'29, 2' : -0.18763508E+01,
|
|
'29, 3' : -0.28358230E+01,
|
|
'29, 6' : -0.29136497E+01,
|
|
'29, 9' : -0.41351724E+01,
|
|
'29, 10' : -0.12356161E+01,
|
|
'29, 11' : -0.41187204E+00,
|
|
'29, 12' : -0.42543960E+01,
|
|
'29, 16' : -0.12243566E+00,
|
|
'29, 17' : -0.22735785E+01,
|
|
'29, 18' : -0.80233436E+01,
|
|
'29, 19' : -0.74666828E+01,
|
|
'29, 22' : 0.13242725E-01,
|
|
'29, 25' : 0.12666917E+00,
|
|
'29, 28' : 0.11806348E+00,
|
|
'29, 29' : -0.10526723E+02,
|
|
'30, 1' : -0.24781805E-01,
|
|
'30, 2' : -0.18763508E+01,
|
|
'30, 3' : -0.28358230E+01,
|
|
'30, 6' : -0.29136497E+01,
|
|
'30, 9' : -0.41351724E+01,
|
|
'30, 10' : -0.41187204E+00,
|
|
'30, 11' : -0.12356161E+01,
|
|
'30, 12' : -0.42543960E+01,
|
|
'30, 16' : -0.12243566E+00,
|
|
'30, 17' : -0.22735785E+01,
|
|
'30, 18' : -0.80233436E+01,
|
|
'30, 19' : -0.74666828E+01,
|
|
'30, 22' : 0.13242725E-01,
|
|
'30, 25' : 0.12666917E+00,
|
|
'30, 28' : 0.11806348E+00,
|
|
'30, 29' : -0.35089075E+01,
|
|
'30, 30' : -0.10526723E+02,
|
|
'31, 1' : -0.88520006E+00,
|
|
'31, 2' : -0.36956554E+01,
|
|
'31, 3' : -0.33784516E+01,
|
|
'31, 6' : -0.50203639E+01,
|
|
'31, 9' : -0.38922759E+01,
|
|
'31, 10' : -0.11280623E+01,
|
|
'31, 11' : -0.11280623E+01,
|
|
'31, 12' : -0.54678416E+01,
|
|
'31, 16' : -0.12246410E+00,
|
|
'31, 17' : -0.22792764E+01,
|
|
'31, 18' : -0.81533505E+01,
|
|
'31, 19' : -0.76453484E+01,
|
|
'31, 22' : 0.43392909E-01,
|
|
'31, 25' : 0.48368707E+00,
|
|
'31, 28' : 0.51181556E+00,
|
|
'31, 29' : -0.35528506E+01,
|
|
'31, 30' : -0.35528506E+01,
|
|
'31, 31' : -0.10885506E+02,
|
|
'32, 13' : -0.12356161E+01,
|
|
'32, 32' : -0.10526723E+02,
|
|
'33, 4' : 0.19485442E+01,
|
|
'33, 7' : 0.80731651E+00,
|
|
'33, 14' : 0.33927479E+01,
|
|
'33, 20' : 0.22937072E-01,
|
|
'33, 23' : 0.21939743E+00,
|
|
'33, 26' : 0.20449195E+00,
|
|
'33, 33' : -0.10658552E+02,
|
|
'34, 5' : 0.19485442E+01,
|
|
'34, 8' : 0.80731651E+00,
|
|
'34, 15' : 0.33927479E+01,
|
|
'34, 21' : 0.22937072E-01,
|
|
'34, 24' : 0.21939743E+00,
|
|
'34, 27' : 0.20449195E+00,
|
|
'34, 34' : -0.10658552E+02,
|
|
},
|
|
'B.ezfio' : {
|
|
'1, 1' : -0.23447095E+02,
|
|
'2, 1' : -0.11327813E+01,
|
|
'2, 2' : -0.37724798E+01,
|
|
'3, 1' : -0.20985141E+01,
|
|
'3, 2' : -0.26872244E+01,
|
|
'3, 3' : -0.25768089E+01,
|
|
'4, 4' : -0.40238504E+01,
|
|
'5, 5' : -0.40238504E+01,
|
|
'6, 6' : -0.40238504E+01,
|
|
'7, 4' : -0.14609000E+01,
|
|
'7, 7' : -0.16427726E+01,
|
|
'8, 5' : -0.14609000E+01,
|
|
'8, 8' : -0.16427726E+01,
|
|
'9, 6' : -0.14609000E+01,
|
|
'9, 9' : -0.16427726E+01,
|
|
'10, 1' : -0.29384898E+00,
|
|
'10, 2' : -0.18822868E+01,
|
|
'10, 3' : -0.17323208E+01,
|
|
'10, 10' : -0.24922170E+01,
|
|
'11, 1' : -0.29384898E+00,
|
|
'11, 2' : -0.18822868E+01,
|
|
'11, 3' : -0.17323208E+01,
|
|
'11, 10' : -0.83073899E+00,
|
|
'11, 11' : -0.24922170E+01,
|
|
'12, 1' : -0.29384898E+00,
|
|
'12, 2' : -0.18822868E+01,
|
|
'12, 3' : -0.17323208E+01,
|
|
'12, 10' : -0.83073899E+00,
|
|
'12, 11' : -0.83073899E+00,
|
|
'12, 12' : -0.24922170E+01,
|
|
'13, 13' : -0.24922170E+01,
|
|
'14, 14' : -0.24922170E+01,
|
|
'15, 15' : -0.24922170E+01,
|
|
},
|
|
'B+.ezfio' : {
|
|
'1, 1' : -0.23447095E+02,
|
|
'2, 1' : -0.11327813E+01,
|
|
'2, 2' : -0.37724798E+01,
|
|
'3, 1' : -0.20985141E+01,
|
|
'3, 2' : -0.26872244E+01,
|
|
'3, 3' : -0.25768089E+01,
|
|
'4, 4' : -0.40238504E+01,
|
|
'5, 5' : -0.40238504E+01,
|
|
'6, 6' : -0.40238504E+01,
|
|
'7, 4' : -0.14609000E+01,
|
|
'7, 7' : -0.16427726E+01,
|
|
'8, 5' : -0.14609000E+01,
|
|
'8, 8' : -0.16427726E+01,
|
|
'9, 6' : -0.14609000E+01,
|
|
'9, 9' : -0.16427726E+01,
|
|
'10, 1' : -0.29384898E+00,
|
|
'10, 2' : -0.18822868E+01,
|
|
'10, 3' : -0.17323208E+01,
|
|
'10, 10' : -0.24922170E+01,
|
|
'11, 1' : -0.29384898E+00,
|
|
'11, 2' : -0.18822868E+01,
|
|
'11, 3' : -0.17323208E+01,
|
|
'11, 10' : -0.83073899E+00,
|
|
'11, 11' : -0.24922170E+01,
|
|
'12, 1' : -0.29384898E+00,
|
|
'12, 2' : -0.18822868E+01,
|
|
'12, 3' : -0.17323208E+01,
|
|
'12, 10' : -0.83073899E+00,
|
|
'12, 11' : -0.83073899E+00,
|
|
'12, 12' : -0.24922170E+01,
|
|
'13, 13' : -0.24922170E+01,
|
|
'14, 14' : -0.24922170E+01,
|
|
'15, 15' : -0.24922170E+01,
|
|
},
|
|
'BH2.ezfio' : {
|
|
'1, 1' : -0.24334601E+02,
|
|
'2, 1' : -0.13025851E+01,
|
|
'2, 2' : -0.46499964E+01,
|
|
'3, 1' : -0.22542724E+01,
|
|
'3, 2' : -0.33768642E+01,
|
|
'3, 3' : -0.33351709E+01,
|
|
'4, 4' : -0.48160650E+01,
|
|
'5, 5' : -0.50060273E+01,
|
|
'6, 1' : 0.18944536E-01,
|
|
'6, 2' : 0.14087758E+00,
|
|
'6, 3' : 0.12535319E+00,
|
|
'6, 6' : -0.48613483E+01,
|
|
'7, 4' : -0.18472477E+01,
|
|
'7, 7' : -0.21948993E+01,
|
|
'8, 5' : -0.19759054E+01,
|
|
'8, 8' : -0.23527779E+01,
|
|
'9, 1' : 0.28897068E-02,
|
|
'9, 2' : 0.79257562E-01,
|
|
'9, 3' : 0.11565140E+00,
|
|
'9, 6' : -0.18779171E+01,
|
|
'9, 9' : -0.22325344E+01,
|
|
'10, 1' : -0.33136547E+00,
|
|
'10, 2' : -0.23566305E+01,
|
|
'10, 3' : -0.22168129E+01,
|
|
'10, 6' : 0.44737210E-01,
|
|
'10, 9' : 0.36050208E-01,
|
|
'10, 10' : -0.31787918E+01,
|
|
'11, 1' : -0.33479192E+00,
|
|
'11, 2' : -0.25102243E+01,
|
|
'11, 3' : -0.23881899E+01,
|
|
'11, 6' : 0.11506796E+00,
|
|
'11, 9' : 0.97403979E-01,
|
|
'11, 10' : -0.10976055E+01,
|
|
'11, 11' : -0.35568345E+01,
|
|
'12, 1' : -0.33218227E+00,
|
|
'12, 2' : -0.23932442E+01,
|
|
'12, 3' : -0.22576658E+01,
|
|
'12, 6' : 0.15097708E+00,
|
|
'12, 9' : 0.12277615E+00,
|
|
'12, 10' : -0.10686577E+01,
|
|
'12, 11' : -0.11424213E+01,
|
|
'12, 12' : -0.32416776E+01,
|
|
'13, 13' : -0.32928164E+01,
|
|
'14, 4' : 0.77487121E-01,
|
|
'14, 7' : 0.62440792E-01,
|
|
'14, 14' : -0.32059730E+01,
|
|
'15, 5' : 0.19930355E+00,
|
|
'15, 8' : 0.16870864E+00,
|
|
'15, 15' : -0.34272640E+01,
|
|
'16, 1' : -0.62117233E+00,
|
|
'16, 2' : -0.15293917E+01,
|
|
'16, 3' : -0.15329807E+01,
|
|
'16, 5' : -0.17294065E+01,
|
|
'16, 6' : 0.85783455E+00,
|
|
'16, 8' : -0.13808115E+01,
|
|
'16, 9' : 0.68249263E+00,
|
|
'16, 10' : -0.55739352E+00,
|
|
'16, 11' : -0.20584236E+01,
|
|
'16, 12' : -0.92384931E+00,
|
|
'16, 15' : 0.12787162E+01,
|
|
'16, 16' : -0.38396382E+01,
|
|
'17, 1' : -0.13776246E+01,
|
|
'17, 2' : -0.22654215E+01,
|
|
'17, 3' : -0.24057414E+01,
|
|
'17, 5' : -0.10522550E+01,
|
|
'17, 6' : 0.57188499E+00,
|
|
'17, 8' : -0.12696489E+01,
|
|
'17, 9' : 0.67077120E+00,
|
|
'17, 10' : -0.14307671E+01,
|
|
'17, 11' : -0.19068502E+01,
|
|
'17, 12' : -0.15581788E+01,
|
|
'17, 15' : 0.37137629E+00,
|
|
'17, 16' : -0.23162183E+01,
|
|
'17, 17' : -0.27657807E+01,
|
|
'18, 4' : -0.86728777E+00,
|
|
'18, 7' : -0.65413893E+00,
|
|
'18, 13' : -0.13900041E+01,
|
|
'18, 14' : 0.68481727E+00,
|
|
'18, 18' : -0.32173699E+01,
|
|
'19, 1' : 0.95805146E+00,
|
|
'19, 2' : 0.15315808E+01,
|
|
'19, 3' : 0.89702654E+00,
|
|
'19, 5' : 0.13785290E+01,
|
|
'19, 6' : -0.11106020E+01,
|
|
'19, 8' : 0.65532862E-01,
|
|
'19, 9' : -0.35679212E+00,
|
|
'19, 10' : 0.47708700E+00,
|
|
'19, 11' : 0.65780516E+00,
|
|
'19, 12' : 0.91321036E+00,
|
|
'19, 15' : -0.83898680E+00,
|
|
'19, 16' : 0.59110412E+00,
|
|
'19, 17' : 0.53997791E+00,
|
|
'19, 19' : -0.35927201E+01,
|
|
'20, 1' : -0.46697935E+00,
|
|
'20, 2' : -0.73592955E+00,
|
|
'20, 3' : -0.42540481E+00,
|
|
'20, 5' : -0.10857538E+01,
|
|
'20, 6' : -0.33307902E+00,
|
|
'20, 8' : -0.34139105E+00,
|
|
'20, 9' : -0.48669458E+00,
|
|
'20, 10' : -0.22937792E+00,
|
|
'20, 11' : -0.10922055E+01,
|
|
'20, 12' : 0.35281356E+00,
|
|
'20, 15' : -0.65614961E+00,
|
|
'20, 16' : -0.26987563E+00,
|
|
'20, 17' : -0.24607379E+00,
|
|
'20, 19' : 0.17567977E+00,
|
|
'20, 20' : -0.33031442E+01,
|
|
'21, 1' : -0.62117233E+00,
|
|
'21, 2' : -0.15293917E+01,
|
|
'21, 3' : -0.15329807E+01,
|
|
'21, 5' : 0.17294065E+01,
|
|
'21, 6' : 0.85783455E+00,
|
|
'21, 8' : 0.13808115E+01,
|
|
'21, 9' : 0.68249263E+00,
|
|
'21, 10' : -0.55739352E+00,
|
|
'21, 11' : -0.20584236E+01,
|
|
'21, 12' : -0.92384931E+00,
|
|
'21, 15' : -0.12787162E+01,
|
|
'21, 16' : -0.91127393E-01,
|
|
'21, 17' : -0.55615351E+00,
|
|
'21, 19' : 0.11993384E+00,
|
|
'21, 20' : -0.13237631E-01,
|
|
'21, 21' : -0.38396382E+01,
|
|
'22, 1' : -0.13776246E+01,
|
|
'22, 2' : -0.22654215E+01,
|
|
'22, 3' : -0.24057414E+01,
|
|
'22, 5' : 0.10522550E+01,
|
|
'22, 6' : 0.57188499E+00,
|
|
'22, 8' : 0.12696489E+01,
|
|
'22, 9' : 0.67077120E+00,
|
|
'22, 10' : -0.14307671E+01,
|
|
'22, 11' : -0.19068502E+01,
|
|
'22, 12' : -0.15581788E+01,
|
|
'22, 15' : -0.37137629E+00,
|
|
'22, 16' : -0.55615351E+00,
|
|
'22, 17' : -0.12547363E+01,
|
|
'22, 19' : 0.52237645E+00,
|
|
'22, 20' : -0.82705651E-01,
|
|
'22, 21' : -0.23162183E+01,
|
|
'22, 22' : -0.27657807E+01,
|
|
'23, 4' : -0.86728777E+00,
|
|
'23, 7' : -0.65413893E+00,
|
|
'23, 13' : 0.13900041E+01,
|
|
'23, 14' : 0.68481727E+00,
|
|
'23, 18' : -0.11477360E-01,
|
|
'23, 23' : -0.32173699E+01,
|
|
'24, 1' : -0.95805146E+00,
|
|
'24, 2' : -0.15315808E+01,
|
|
'24, 3' : -0.89702654E+00,
|
|
'24, 5' : 0.13785290E+01,
|
|
'24, 6' : 0.11106020E+01,
|
|
'24, 8' : 0.65532862E-01,
|
|
'24, 9' : 0.35679212E+00,
|
|
'24, 10' : -0.47708700E+00,
|
|
'24, 11' : -0.65780516E+00,
|
|
'24, 12' : -0.91321036E+00,
|
|
'24, 15' : -0.83898680E+00,
|
|
'24, 16' : -0.11993384E+00,
|
|
'24, 17' : -0.52237645E+00,
|
|
'24, 19' : 0.15915094E+00,
|
|
'24, 20' : -0.15553101E-01,
|
|
'24, 21' : -0.59110412E+00,
|
|
'24, 22' : -0.53997791E+00,
|
|
'24, 24' : -0.35927201E+01,
|
|
'25, 1' : -0.46697935E+00,
|
|
'25, 2' : -0.73592955E+00,
|
|
'25, 3' : -0.42540481E+00,
|
|
'25, 5' : 0.10857538E+01,
|
|
'25, 6' : -0.33307902E+00,
|
|
'25, 8' : 0.34139105E+00,
|
|
'25, 9' : -0.48669458E+00,
|
|
'25, 10' : -0.22937792E+00,
|
|
'25, 11' : -0.10922055E+01,
|
|
'25, 12' : 0.35281356E+00,
|
|
'25, 15' : 0.65614961E+00,
|
|
'25, 16' : -0.13237631E-01,
|
|
'25, 17' : -0.82705651E-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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'37, 24' : -0.75252146E-01,
|
|
'37, 27' : -0.67025252E+00,
|
|
'37, 30' : -0.60972911E+00,
|
|
'37, 37' : -0.15693133E+02,
|
|
'38, 6' : -0.26592065E-01,
|
|
'38, 9' : -0.58226410E+00,
|
|
'38, 12' : -0.16901624E+01,
|
|
'38, 19' : 0.14064100E+01,
|
|
'38, 25' : -0.75252146E-01,
|
|
'38, 28' : -0.67025252E+00,
|
|
'38, 31' : -0.60972911E+00,
|
|
'38, 38' : -0.15693133E+02,
|
|
},
|
|
'Cl2+.ezfio' : {
|
|
'1, 1' : -0.28565791E+03,
|
|
'2, 1' : -0.31014359E+02,
|
|
'2, 2' : -0.52681081E+02,
|
|
'3, 1' : 0.76634725E+01,
|
|
'3, 2' : -0.19581200E+01,
|
|
'3, 3' : -0.19433389E+02,
|
|
'4, 1' : -0.64699476E+01,
|
|
'4, 2' : -0.12265162E+02,
|
|
'4, 3' : -0.14670161E+02,
|
|
'4, 4' : -0.16573853E+02,
|
|
'5, 5' : -0.59089175E+02,
|
|
'6, 6' : -0.59089175E+02,
|
|
'7, 1' : 0.48500429E-01,
|
|
'7, 2' : 0.30162645E+00,
|
|
'7, 3' : 0.15495698E+00,
|
|
'7, 4' : 0.15660924E+00,
|
|
'7, 7' : -0.59131300E+02,
|
|
'8, 5' : -0.10879665E+02,
|
|
'8, 8' : -0.18791125E+02,
|
|
'9, 6' : -0.10879665E+02,
|
|
'9, 9' : -0.18791125E+02,
|
|
'10, 1' : 0.31652738E-02,
|
|
'10, 2' : 0.16397631E+00,
|
|
'10, 3' : 0.95654957E+00,
|
|
'10, 4' : 0.10000348E+01,
|
|
'10, 7' : -0.10926488E+02,
|
|
'10, 10' : -0.19220489E+02,
|
|
'11, 5' : -0.26831745E+01,
|
|
'11, 8' : -0.95721469E+01,
|
|
'11, 11' : -0.11387016E+02,
|
|
'12, 6' : -0.26831745E+01,
|
|
'12, 9' : -0.95721469E+01,
|
|
'12, 12' : -0.11387016E+02,
|
|
'13, 1' : 0.77135786E-03,
|
|
'13, 2' : 0.42601280E-01,
|
|
'13, 3' : 0.66953569E+00,
|
|
'13, 4' : 0.13900562E+01,
|
|
'13, 7' : -0.26993066E+01,
|
|
'13, 10' : -0.10013021E+02,
|
|
'13, 13' : -0.12790678E+02,
|
|
'14, 1' : -0.17299381E+00,
|
|
'14, 2' : -0.32330912E+01,
|
|
'14, 3' : -0.11648965E+02,
|
|
'14, 4' : -0.10991251E+02,
|
|
'14, 7' : 0.47978806E-01,
|
|
'14, 10' : 0.42461683E+00,
|
|
'14, 13' : 0.38380118E+00,
|
|
'14, 14' : -0.15570074E+02,
|
|
'15, 1' : -0.17299381E+00,
|
|
'15, 2' : -0.32330912E+01,
|
|
'15, 3' : -0.11648965E+02,
|
|
'15, 4' : -0.10991251E+02,
|
|
'15, 7' : 0.47978806E-01,
|
|
'15, 10' : 0.42461683E+00,
|
|
'15, 13' : 0.38380118E+00,
|
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'15, 14' : -0.51900247E+01,
|
|
'15, 15' : -0.15570074E+02,
|
|
'16, 1' : -0.17308522E+00,
|
|
'16, 2' : -0.32493608E+01,
|
|
'16, 3' : -0.11979716E+02,
|
|
'16, 4' : -0.11444086E+02,
|
|
'16, 7' : 0.15338498E+00,
|
|
'16, 10' : 0.14967891E+01,
|
|
'16, 13' : 0.14791771E+01,
|
|
'16, 14' : -0.53115001E+01,
|
|
'16, 15' : -0.53115001E+01,
|
|
'16, 16' : -0.16454886E+02,
|
|
'17, 17' : -0.15570074E+02,
|
|
'18, 5' : 0.83101729E-01,
|
|
'18, 8' : 0.73545793E+00,
|
|
'18, 11' : 0.66476314E+00,
|
|
'18, 18' : -0.15934500E+02,
|
|
'19, 6' : 0.83101729E-01,
|
|
'19, 9' : 0.73545793E+00,
|
|
'19, 12' : 0.66476314E+00,
|
|
'19, 19' : -0.15934500E+02,
|
|
'20, 3' : -0.13361798E-01,
|
|
'20, 4' : -0.48264325E+00,
|
|
'20, 7' : 0.36771075E-07,
|
|
'20, 10' : 0.52956933E-01,
|
|
'20, 13' : 0.19001458E+01,
|
|
'20, 14' : -0.68288505E-04,
|
|
'20, 15' : -0.68288505E-04,
|
|
'20, 16' : -0.93460072E-01,
|
|
'20, 20' : -0.28565791E+03,
|
|
'21, 2' : -0.20657791E-06,
|
|
'21, 3' : -0.48934065E-01,
|
|
'21, 4' : -0.10173952E+01,
|
|
'21, 7' : 0.15639774E-04,
|
|
'21, 10' : 0.17007623E+00,
|
|
'21, 13' : 0.37880954E+01,
|
|
'21, 14' : -0.34751850E-02,
|
|
'21, 15' : -0.34751850E-02,
|
|
'21, 16' : -0.31151880E+00,
|
|
'21, 20' : -0.31014359E+02,
|
|
'21, 21' : -0.52681081E+02,
|
|
'22, 1' : -0.13361798E-01,
|
|
'22, 2' : -0.48934065E-01,
|
|
'22, 3' : -0.70148292E+00,
|
|
'22, 4' : -0.23830191E+01,
|
|
'22, 7' : 0.63535682E-01,
|
|
'22, 10' : 0.14062911E+01,
|
|
'22, 13' : 0.61753350E+01,
|
|
'22, 14' : -0.26671504E+00,
|
|
'22, 15' : -0.26671504E+00,
|
|
'22, 16' : -0.22332275E+01,
|
|
'22, 20' : 0.76634725E+01,
|
|
'22, 21' : -0.19581200E+01,
|
|
'22, 22' : -0.19433389E+02,
|
|
'23, 1' : -0.48264325E+00,
|
|
'23, 2' : -0.10173952E+01,
|
|
'23, 3' : -0.23830191E+01,
|
|
'23, 4' : -0.45058797E+01,
|
|
'23, 7' : 0.46772427E+00,
|
|
'23, 10' : 0.28807746E+01,
|
|
'23, 13' : 0.79875739E+01,
|
|
'23, 14' : -0.15288288E+01,
|
|
'23, 15' : -0.15288288E+01,
|
|
'23, 16' : -0.38422323E+01,
|
|
'23, 20' : -0.64699476E+01,
|
|
'23, 21' : -0.12265162E+02,
|
|
'23, 22' : -0.14670161E+02,
|
|
'23, 23' : -0.16573853E+02,
|
|
'24, 5' : -0.77092574E-05,
|
|
'24, 8' : -0.16956609E-01,
|
|
'24, 11' : -0.33550345E+00,
|
|
'24, 18' : 0.52866909E-01,
|
|
'24, 24' : -0.59089175E+02,
|
|
'25, 6' : -0.77092574E-05,
|
|
'25, 9' : -0.16956609E-01,
|
|
'25, 12' : -0.33550345E+00,
|
|
'25, 19' : 0.52866909E-01,
|
|
'25, 25' : -0.59089175E+02,
|
|
'26, 1' : -0.36771075E-07,
|
|
'26, 2' : -0.15639774E-04,
|
|
'26, 3' : -0.63535682E-01,
|
|
'26, 4' : -0.46772427E+00,
|
|
'26, 7' : 0.17073010E-03,
|
|
'26, 10' : 0.19289595E+00,
|
|
'26, 13' : 0.11182300E+01,
|
|
'26, 14' : -0.66550535E-02,
|
|
'26, 15' : -0.66550535E-02,
|
|
'26, 16' : -0.36273105E+00,
|
|
'26, 20' : -0.48500429E-01,
|
|
'26, 21' : -0.30162645E+00,
|
|
'26, 22' : -0.15495698E+00,
|
|
'26, 23' : -0.15660924E+00,
|
|
'26, 26' : -0.59131300E+02,
|
|
'27, 5' : -0.16956609E-01,
|
|
'27, 8' : -0.36078574E+00,
|
|
'27, 11' : -0.17715682E+01,
|
|
'27, 18' : 0.87273026E+00,
|
|
'27, 24' : -0.10879665E+02,
|
|
'27, 27' : -0.18791125E+02,
|
|
'28, 6' : -0.16956609E-01,
|
|
'28, 9' : -0.36078574E+00,
|
|
'28, 12' : -0.17715682E+01,
|
|
'28, 19' : 0.87273026E+00,
|
|
'28, 25' : -0.10879665E+02,
|
|
'28, 28' : -0.18791125E+02,
|
|
'29, 1' : -0.52956933E-01,
|
|
'29, 2' : -0.17007623E+00,
|
|
'29, 3' : -0.14062911E+01,
|
|
'29, 4' : -0.28807746E+01,
|
|
'29, 7' : 0.19289595E+00,
|
|
'29, 10' : 0.25416307E+01,
|
|
'29, 13' : 0.49237781E+01,
|
|
'29, 14' : -0.55980001E+00,
|
|
'29, 15' : -0.55980001E+00,
|
|
'29, 16' : -0.38060851E+01,
|
|
'29, 20' : -0.31652738E-02,
|
|
'29, 21' : -0.16397631E+00,
|
|
'29, 22' : -0.95654957E+00,
|
|
'29, 23' : -0.10000348E+01,
|
|
'29, 26' : -0.10926488E+02,
|
|
'29, 29' : -0.19220489E+02,
|
|
'30, 5' : -0.33550345E+00,
|
|
'30, 8' : -0.17715682E+01,
|
|
'30, 11' : -0.40405494E+01,
|
|
'30, 18' : 0.19915037E+01,
|
|
'30, 24' : -0.26831745E+01,
|
|
'30, 27' : -0.95721469E+01,
|
|
'30, 30' : -0.11387016E+02,
|
|
'31, 6' : -0.33550345E+00,
|
|
'31, 9' : -0.17715682E+01,
|
|
'31, 12' : -0.40405494E+01,
|
|
'31, 19' : 0.19915037E+01,
|
|
'31, 25' : -0.26831745E+01,
|
|
'31, 28' : -0.95721469E+01,
|
|
'31, 31' : -0.11387016E+02,
|
|
'32, 1' : -0.19001458E+01,
|
|
'32, 2' : -0.37880954E+01,
|
|
'32, 3' : -0.61753350E+01,
|
|
'32, 4' : -0.79875739E+01,
|
|
'32, 7' : 0.11182300E+01,
|
|
'32, 10' : 0.49237781E+01,
|
|
'32, 13' : 0.61383126E+01,
|
|
'32, 14' : -0.44474012E+01,
|
|
'32, 15' : -0.44474012E+01,
|
|
'32, 16' : -0.67494414E+01,
|
|
'32, 20' : -0.77135786E-03,
|
|
'32, 21' : -0.42601280E-01,
|
|
'32, 22' : -0.66953569E+00,
|
|
'32, 23' : -0.13900562E+01,
|
|
'32, 26' : -0.26993066E+01,
|
|
'32, 29' : -0.10013021E+02,
|
|
'32, 32' : -0.12790678E+02,
|
|
'33, 1' : -0.68288505E-04,
|
|
'33, 2' : -0.34751850E-02,
|
|
'33, 3' : -0.26671504E+00,
|
|
'33, 4' : -0.15288288E+01,
|
|
'33, 7' : 0.66550535E-02,
|
|
'33, 10' : 0.55980001E+00,
|
|
'33, 13' : 0.44474012E+01,
|
|
'33, 14' : -0.26244304E+00,
|
|
'33, 15' : -0.87481012E-01,
|
|
'33, 16' : -0.88067569E+00,
|
|
'33, 20' : -0.17299381E+00,
|
|
'33, 21' : -0.32330912E+01,
|
|
'33, 22' : -0.11648965E+02,
|
|
'33, 23' : -0.10991251E+02,
|
|
'33, 26' : -0.47978806E-01,
|
|
'33, 29' : -0.42461683E+00,
|
|
'33, 32' : -0.38380118E+00,
|
|
'33, 33' : -0.15570074E+02,
|
|
'34, 1' : -0.68288505E-04,
|
|
'34, 2' : -0.34751850E-02,
|
|
'34, 3' : -0.26671504E+00,
|
|
'34, 4' : -0.15288288E+01,
|
|
'34, 7' : 0.66550535E-02,
|
|
'34, 10' : 0.55980001E+00,
|
|
'34, 13' : 0.44474012E+01,
|
|
'34, 14' : -0.87481012E-01,
|
|
'34, 15' : -0.26244304E+00,
|
|
'34, 16' : -0.88067569E+00,
|
|
'34, 20' : -0.17299381E+00,
|
|
'34, 21' : -0.32330912E+01,
|
|
'34, 22' : -0.11648965E+02,
|
|
'34, 23' : -0.10991251E+02,
|
|
'34, 26' : -0.47978806E-01,
|
|
'34, 29' : -0.42461683E+00,
|
|
'34, 32' : -0.38380118E+00,
|
|
'34, 33' : -0.51900247E+01,
|
|
'34, 34' : -0.15570074E+02,
|
|
'35, 1' : -0.93460072E-01,
|
|
'35, 2' : -0.31151880E+00,
|
|
'35, 3' : -0.22332275E+01,
|
|
'35, 4' : -0.38422323E+01,
|
|
'35, 7' : 0.36273105E+00,
|
|
'35, 10' : 0.38060851E+01,
|
|
'35, 13' : 0.67494414E+01,
|
|
'35, 14' : -0.88067569E+00,
|
|
'35, 15' : -0.88067569E+00,
|
|
'35, 16' : -0.54422599E+01,
|
|
'35, 20' : -0.17308522E+00,
|
|
'35, 21' : -0.32493608E+01,
|
|
'35, 22' : -0.11979716E+02,
|
|
'35, 23' : -0.11444086E+02,
|
|
'35, 26' : -0.15338498E+00,
|
|
'35, 29' : -0.14967891E+01,
|
|
'35, 32' : -0.14791771E+01,
|
|
'35, 33' : -0.53115001E+01,
|
|
'35, 34' : -0.53115001E+01,
|
|
'35, 35' : -0.16454886E+02,
|
|
'36, 17' : -0.26244304E+00,
|
|
'36, 36' : -0.15570074E+02,
|
|
'37, 5' : -0.52866909E-01,
|
|
'37, 8' : -0.87273026E+00,
|
|
'37, 11' : -0.19915037E+01,
|
|
'37, 18' : 0.20118832E+01,
|
|
'37, 24' : -0.83101729E-01,
|
|
'37, 27' : -0.73545793E+00,
|
|
'37, 30' : -0.66476314E+00,
|
|
'37, 37' : -0.15934500E+02,
|
|
'38, 6' : -0.52866909E-01,
|
|
'38, 9' : -0.87273026E+00,
|
|
'38, 12' : -0.19915037E+01,
|
|
'38, 19' : 0.20118832E+01,
|
|
'38, 25' : -0.83101729E-01,
|
|
'38, 28' : -0.73545793E+00,
|
|
'38, 31' : -0.66476314E+00,
|
|
'38, 38' : -0.15934500E+02,
|
|
},
|
|
'Cl-.ezfio' : {
|
|
'1, 1' : -0.28102079E+03,
|
|
'2, 1' : -0.29733094E+02,
|
|
'2, 2' : -0.48043960E+02,
|
|
'3, 1' : 0.74391541E+01,
|
|
'3, 2' : -0.11300670E+01,
|
|
'3, 3' : -0.14796270E+02,
|
|
'4, 1' : -0.62551919E+01,
|
|
'4, 2' : -0.10838875E+02,
|
|
'4, 3' : -0.10748195E+02,
|
|
'4, 4' : -0.11942517E+02,
|
|
'5, 5' : -0.54466097E+02,
|
|
'6, 6' : -0.54466097E+02,
|
|
'7, 7' : -0.54466097E+02,
|
|
'8, 5' : -0.93174618E+01,
|
|
'8, 8' : -0.14297129E+02,
|
|
'9, 6' : -0.93174618E+01,
|
|
'9, 9' : -0.14297129E+02,
|
|
'10, 7' : -0.93174618E+01,
|
|
'10, 10' : -0.14297129E+02,
|
|
'11, 5' : -0.22732989E+01,
|
|
'11, 8' : -0.68473253E+01,
|
|
'11, 11' : -0.72792264E+01,
|
|
'12, 6' : -0.22732989E+01,
|
|
'12, 9' : -0.68473253E+01,
|
|
'12, 12' : -0.72792264E+01,
|
|
'13, 7' : -0.22732989E+01,
|
|
'13, 10' : -0.68473253E+01,
|
|
'13, 13' : -0.72792264E+01,
|
|
'14, 1' : -0.16100386E+00,
|
|
'14, 2' : -0.27262072E+01,
|
|
'14, 3' : -0.86003607E+01,
|
|
'14, 4' : -0.79192657E+01,
|
|
'14, 14' : -0.11207102E+02,
|
|
'15, 1' : -0.16100386E+00,
|
|
'15, 2' : -0.27262072E+01,
|
|
'15, 3' : -0.86003607E+01,
|
|
'15, 4' : -0.79192657E+01,
|
|
'15, 14' : -0.37357007E+01,
|
|
'15, 15' : -0.11207102E+02,
|
|
'16, 1' : -0.16100386E+00,
|
|
'16, 2' : -0.27262072E+01,
|
|
'16, 3' : -0.86003607E+01,
|
|
'16, 4' : -0.79192657E+01,
|
|
'16, 14' : -0.37357007E+01,
|
|
'16, 15' : -0.37357007E+01,
|
|
'16, 16' : -0.11207102E+02,
|
|
'17, 17' : -0.11207102E+02,
|
|
'18, 18' : -0.11207102E+02,
|
|
'19, 19' : -0.11207102E+02,
|
|
},
|
|
'Cl.ezfio' : {
|
|
'1, 1' : -0.28102079E+03,
|
|
'2, 1' : -0.29733094E+02,
|
|
'2, 2' : -0.48043960E+02,
|
|
'3, 1' : 0.74391541E+01,
|
|
'3, 2' : -0.11300670E+01,
|
|
'3, 3' : -0.14796270E+02,
|
|
'4, 1' : -0.62551919E+01,
|
|
'4, 2' : -0.10838875E+02,
|
|
'4, 3' : -0.10748195E+02,
|
|
'4, 4' : -0.11942517E+02,
|
|
'5, 5' : -0.54466097E+02,
|
|
'6, 6' : -0.54466097E+02,
|
|
'7, 7' : -0.54466097E+02,
|
|
'8, 5' : -0.93174618E+01,
|
|
'8, 8' : -0.14297129E+02,
|
|
'9, 6' : -0.93174618E+01,
|
|
'9, 9' : -0.14297129E+02,
|
|
'10, 7' : -0.93174618E+01,
|
|
'10, 10' : -0.14297129E+02,
|
|
'11, 5' : -0.22732989E+01,
|
|
'11, 8' : -0.68473253E+01,
|
|
'11, 11' : -0.72792264E+01,
|
|
'12, 6' : -0.22732989E+01,
|
|
'12, 9' : -0.68473253E+01,
|
|
'12, 12' : -0.72792264E+01,
|
|
'13, 7' : -0.22732989E+01,
|
|
'13, 10' : -0.68473253E+01,
|
|
'13, 13' : -0.72792264E+01,
|
|
'14, 1' : -0.16100386E+00,
|
|
'14, 2' : -0.27262072E+01,
|
|
'14, 3' : -0.86003607E+01,
|
|
'14, 4' : -0.79192657E+01,
|
|
'14, 14' : -0.11207102E+02,
|
|
'15, 1' : -0.16100386E+00,
|
|
'15, 2' : -0.27262072E+01,
|
|
'15, 3' : -0.86003607E+01,
|
|
'15, 4' : -0.79192657E+01,
|
|
'15, 14' : -0.37357007E+01,
|
|
'15, 15' : -0.11207102E+02,
|
|
'16, 1' : -0.16100386E+00,
|
|
'16, 2' : -0.27262072E+01,
|
|
'16, 3' : -0.86003607E+01,
|
|
'16, 4' : -0.79192657E+01,
|
|
'16, 14' : -0.37357007E+01,
|
|
'16, 15' : -0.37357007E+01,
|
|
'16, 16' : -0.11207102E+02,
|
|
'17, 17' : -0.11207102E+02,
|
|
'18, 18' : -0.11207102E+02,
|
|
'19, 19' : -0.11207102E+02,
|
|
},
|
|
'Cl+.ezfio' : {
|
|
'1, 1' : -0.28102079E+03,
|
|
'2, 1' : -0.29733094E+02,
|
|
'2, 2' : -0.48043960E+02,
|
|
'3, 1' : 0.74391541E+01,
|
|
'3, 2' : -0.11300670E+01,
|
|
'3, 3' : -0.14796270E+02,
|
|
'4, 1' : -0.62551919E+01,
|
|
'4, 2' : -0.10838875E+02,
|
|
'4, 3' : -0.10748195E+02,
|
|
'4, 4' : -0.11942517E+02,
|
|
'5, 5' : -0.54466097E+02,
|
|
'6, 6' : -0.54466097E+02,
|
|
'7, 7' : -0.54466097E+02,
|
|
'8, 5' : -0.93174618E+01,
|
|
'8, 8' : -0.14297129E+02,
|
|
'9, 6' : -0.93174618E+01,
|
|
'9, 9' : -0.14297129E+02,
|
|
'10, 7' : -0.93174618E+01,
|
|
'10, 10' : -0.14297129E+02,
|
|
'11, 5' : -0.22732989E+01,
|
|
'11, 8' : -0.68473253E+01,
|
|
'11, 11' : -0.72792264E+01,
|
|
'12, 6' : -0.22732989E+01,
|
|
'12, 9' : -0.68473253E+01,
|
|
'12, 12' : -0.72792264E+01,
|
|
'13, 7' : -0.22732989E+01,
|
|
'13, 10' : -0.68473253E+01,
|
|
'13, 13' : -0.72792264E+01,
|
|
'14, 1' : -0.16100386E+00,
|
|
'14, 2' : -0.27262072E+01,
|
|
'14, 3' : -0.86003607E+01,
|
|
'14, 4' : -0.79192657E+01,
|
|
'14, 14' : -0.11207102E+02,
|
|
'15, 1' : -0.16100386E+00,
|
|
'15, 2' : -0.27262072E+01,
|
|
'15, 3' : -0.86003607E+01,
|
|
'15, 4' : -0.79192657E+01,
|
|
'15, 14' : -0.37357007E+01,
|
|
'15, 15' : -0.11207102E+02,
|
|
'16, 1' : -0.16100386E+00,
|
|
'16, 2' : -0.27262072E+01,
|
|
'16, 3' : -0.86003607E+01,
|
|
'16, 4' : -0.79192657E+01,
|
|
'16, 14' : -0.37357007E+01,
|
|
'16, 15' : -0.37357007E+01,
|
|
'16, 16' : -0.11207102E+02,
|
|
'17, 17' : -0.11207102E+02,
|
|
'18, 18' : -0.11207102E+02,
|
|
'19, 19' : -0.11207102E+02,
|
|
},
|
|
'ClH2+.ezfio' : {
|
|
'1, 1' : -0.28182620E+03,
|
|
'2, 1' : -0.29955633E+02,
|
|
'2, 2' : -0.48849367E+02,
|
|
'3, 1' : 0.74781152E+01,
|
|
'3, 2' : -0.12738889E+01,
|
|
'3, 3' : -0.15601341E+02,
|
|
'4, 1' : -0.62924921E+01,
|
|
'4, 2' : -0.11086602E+02,
|
|
'4, 3' : -0.11427186E+02,
|
|
'4, 4' : -0.12724736E+02,
|
|
'5, 5' : -0.55266188E+02,
|
|
'6, 6' : -0.55274997E+02,
|
|
'7, 1' : 0.83199466E-02,
|
|
'7, 2' : 0.51742140E-01,
|
|
'7, 3' : 0.26581772E-01,
|
|
'7, 4' : 0.26864744E-01,
|
|
'7, 7' : -0.55273325E+02,
|
|
'8, 5' : -0.95855984E+01,
|
|
'8, 8' : -0.15048380E+02,
|
|
'9, 6' : -0.95953904E+01,
|
|
'9, 9' : -0.15136458E+02,
|
|
'10, 1' : 0.54298302E-03,
|
|
'10, 2' : 0.28129114E-01,
|
|
'10, 3' : 0.16341300E+00,
|
|
'10, 4' : 0.16684837E+00,
|
|
'10, 7' : -0.95935312E+01,
|
|
'10, 10' : -0.15119734E+02,
|
|
'11, 5' : -0.23433872E+01,
|
|
'11, 8' : -0.72907589E+01,
|
|
'11, 11' : -0.78991254E+01,
|
|
'12, 6' : -0.23467599E+01,
|
|
'12, 9' : -0.73717112E+01,
|
|
'12, 12' : -0.80494451E+01,
|
|
'13, 1' : 0.13232164E-03,
|
|
'13, 2' : 0.73079829E-02,
|
|
'13, 3' : 0.11073367E+00,
|
|
'13, 4' : 0.18969742E+00,
|
|
'13, 7' : -0.23461195E+01,
|
|
'13, 10' : -0.73563407E+01,
|
|
'13, 13' : -0.80209038E+01,
|
|
'14, 1' : -0.16308011E+00,
|
|
'14, 2' : -0.28131352E+01,
|
|
'14, 3' : -0.91072898E+01,
|
|
'14, 4' : -0.84220685E+01,
|
|
'14, 7' : 0.78480866E-02,
|
|
'14, 10' : 0.63850814E-01,
|
|
'14, 13' : 0.52945606E-01,
|
|
'14, 14' : -0.11914694E+02,
|
|
'15, 1' : -0.16309923E+00,
|
|
'15, 2' : -0.28165378E+01,
|
|
'15, 3' : -0.91753581E+01,
|
|
'15, 4' : -0.85091230E+01,
|
|
'15, 7' : 0.97993268E-02,
|
|
'15, 10' : 0.10761324E+00,
|
|
'15, 13' : 0.10563468E+00,
|
|
'15, 14' : -0.39915265E+01,
|
|
'15, 15' : -0.12069952E+02,
|
|
'16, 1' : -0.16309560E+00,
|
|
'16, 2' : -0.28158917E+01,
|
|
'16, 3' : -0.91624339E+01,
|
|
'16, 4' : -0.84925939E+01,
|
|
'16, 7' : 0.25125016E-01,
|
|
'16, 10' : 0.22700565E+00,
|
|
'16, 13' : 0.20152177E+00,
|
|
'16, 14' : -0.39877363E+01,
|
|
'16, 15' : -0.40364468E+01,
|
|
'16, 16' : -0.12035014E+02,
|
|
'17, 17' : -0.11974579E+02,
|
|
'18, 5' : 0.13593285E-01,
|
|
'18, 8' : 0.11059285E+00,
|
|
'18, 11' : 0.91704479E-01,
|
|
'18, 18' : -0.11963209E+02,
|
|
'19, 6' : 0.16972932E-01,
|
|
'19, 9' : 0.18639160E+00,
|
|
'19, 12' : 0.18296464E+00,
|
|
'19, 19' : -0.12109340E+02,
|
|
'20, 1' : -0.62412063E+00,
|
|
'20, 2' : -0.12759367E+01,
|
|
'20, 3' : -0.26611591E+01,
|
|
'20, 4' : -0.35982195E+01,
|
|
'20, 6' : -0.60124200E+00,
|
|
'20, 7' : 0.54406397E+00,
|
|
'20, 9' : -0.26729493E+01,
|
|
'20, 10' : 0.24249027E+01,
|
|
'20, 12' : -0.34278664E+01,
|
|
'20, 13' : 0.31070421E+01,
|
|
'20, 14' : -0.12953166E+01,
|
|
'20, 15' : -0.30747571E+01,
|
|
'20, 16' : -0.27567874E+01,
|
|
'20, 19' : 0.27834887E+01,
|
|
'20, 20' : -0.84905131E+01,
|
|
'21, 1' : -0.21029073E+01,
|
|
'21, 2' : -0.38474031E+01,
|
|
'21, 3' : -0.50547915E+01,
|
|
'21, 4' : -0.64689483E+01,
|
|
'21, 6' : -0.52385748E+00,
|
|
'21, 7' : 0.48118550E+00,
|
|
'21, 9' : -0.19775205E+01,
|
|
'21, 10' : 0.18532621E+01,
|
|
'21, 12' : -0.29614971E+01,
|
|
'21, 13' : 0.27730779E+01,
|
|
'21, 14' : -0.37831923E+01,
|
|
'21, 15' : -0.42871746E+01,
|
|
'21, 16' : -0.42169541E+01,
|
|
'21, 19' : 0.74962598E+00,
|
|
'21, 20' : -0.54896692E+01,
|
|
'21, 21' : -0.71047464E+01,
|
|
'22, 5' : -0.24780598E+00,
|
|
'22, 8' : -0.14628031E+01,
|
|
'22, 11' : -0.18998287E+01,
|
|
'22, 17' : -0.20178726E+01,
|
|
'22, 18' : 0.18247593E+01,
|
|
'22, 22' : -0.76353408E+01,
|
|
'23, 1' : 0.62078741E+00,
|
|
'23, 2' : 0.14287675E+01,
|
|
'23, 3' : 0.28804289E+01,
|
|
'23, 4' : 0.26562877E+01,
|
|
'23, 6' : 0.78387294E+00,
|
|
'23, 7' : -0.93182871E+00,
|
|
'23, 9' : 0.21894555E+01,
|
|
'23, 10' : -0.33074074E+01,
|
|
'23, 12' : 0.49004587E+00,
|
|
'23, 13' : -0.21678422E+01,
|
|
'23, 14' : 0.12109562E+01,
|
|
'23, 15' : 0.17826621E+01,
|
|
'23, 16' : 0.35895276E+01,
|
|
'23, 19' : -0.27166894E+01,
|
|
'23, 20' : 0.13325833E+01,
|
|
'23, 21' : 0.12344979E+01,
|
|
'23, 23' : -0.82866662E+01,
|
|
'24, 1' : -0.55874229E+00,
|
|
'24, 2' : -0.12852218E+01,
|
|
'24, 3' : -0.25779714E+01,
|
|
'24, 4' : -0.23667921E+01,
|
|
'24, 6' : -0.92807977E+00,
|
|
'24, 7' : 0.59001991E+00,
|
|
'24, 9' : -0.32761695E+01,
|
|
'24, 10' : 0.14967807E+01,
|
|
'24, 12' : -0.21307290E+01,
|
|
'24, 13' : 0.23163150E-01,
|
|
'24, 14' : -0.10850230E+01,
|
|
'24, 15' : -0.36892617E+01,
|
|
'24, 16' : -0.11035257E+01,
|
|
'24, 19' : 0.20535819E+01,
|
|
'24, 20' : -0.11578644E+01,
|
|
'24, 21' : -0.10721564E+01,
|
|
'24, 23' : 0.56777951E+00,
|
|
'24, 24' : -0.81463830E+01,
|
|
'25, 1' : -0.62412063E+00,
|
|
'25, 2' : -0.12759367E+01,
|
|
'25, 3' : -0.26611591E+01,
|
|
'25, 4' : -0.35982195E+01,
|
|
'25, 6' : 0.60124200E+00,
|
|
'25, 7' : 0.54406397E+00,
|
|
'25, 9' : 0.26729493E+01,
|
|
'25, 10' : 0.24249027E+01,
|
|
'25, 12' : 0.34278664E+01,
|
|
'25, 13' : 0.31070421E+01,
|
|
'25, 14' : -0.12953166E+01,
|
|
'25, 15' : -0.30747571E+01,
|
|
'25, 16' : -0.27567874E+01,
|
|
'25, 19' : -0.27834887E+01,
|
|
'25, 20' : -0.37213880E+00,
|
|
'25, 21' : -0.17036871E+01,
|
|
'25, 23' : 0.49537435E+00,
|
|
'25, 24' : -0.68009570E-01,
|
|
'25, 25' : -0.84905131E+01,
|
|
'26, 1' : -0.21029073E+01,
|
|
'26, 2' : -0.38474031E+01,
|
|
'26, 3' : -0.50547915E+01,
|
|
'26, 4' : -0.64689483E+01,
|
|
'26, 6' : 0.52385748E+00,
|
|
'26, 7' : 0.48118550E+00,
|
|
'26, 9' : 0.19775205E+01,
|
|
'26, 10' : 0.18532621E+01,
|
|
'26, 12' : 0.29614971E+01,
|
|
'26, 13' : 0.27730779E+01,
|
|
'26, 14' : -0.37831923E+01,
|
|
'26, 15' : -0.42871746E+01,
|
|
'26, 16' : -0.42169541E+01,
|
|
'26, 19' : -0.74962598E+00,
|
|
'26, 20' : -0.17036871E+01,
|
|
'26, 21' : -0.37399535E+01,
|
|
'26, 23' : 0.14766061E+01,
|
|
'26, 24' : -0.39900108E+00,
|
|
'26, 25' : -0.54896692E+01,
|
|
'26, 26' : -0.71047464E+01,
|
|
'27, 5' : -0.24780598E+00,
|
|
'27, 8' : -0.14628031E+01,
|
|
'27, 11' : -0.18998287E+01,
|
|
'27, 17' : 0.20178726E+01,
|
|
'27, 18' : 0.18247593E+01,
|
|
'27, 22' : -0.70209741E-01,
|
|
'27, 27' : -0.76353408E+01,
|
|
'28, 1' : -0.62078741E+00,
|
|
'28, 2' : -0.14287675E+01,
|
|
'28, 3' : -0.28804289E+01,
|
|
'28, 4' : -0.26562877E+01,
|
|
'28, 6' : 0.78387294E+00,
|
|
'28, 7' : 0.93182871E+00,
|
|
'28, 9' : 0.21894555E+01,
|
|
'28, 10' : 0.33074074E+01,
|
|
'28, 12' : 0.49004587E+00,
|
|
'28, 13' : 0.21678422E+01,
|
|
'28, 14' : -0.12109562E+01,
|
|
'28, 15' : -0.17826621E+01,
|
|
'28, 16' : -0.35895276E+01,
|
|
'28, 19' : -0.27166894E+01,
|
|
'28, 20' : -0.49537435E+00,
|
|
'28, 21' : -0.14766061E+01,
|
|
'28, 23' : 0.71581327E+00,
|
|
'28, 24' : -0.76625839E-01,
|
|
'28, 25' : -0.13325833E+01,
|
|
'28, 26' : -0.12344979E+01,
|
|
'28, 28' : -0.82866662E+01,
|
|
'29, 1' : -0.55874229E+00,
|
|
'29, 2' : -0.12852218E+01,
|
|
'29, 3' : -0.25779714E+01,
|
|
'29, 4' : -0.23667921E+01,
|
|
'29, 6' : 0.92807977E+00,
|
|
'29, 7' : 0.59001991E+00,
|
|
'29, 9' : 0.32761695E+01,
|
|
'29, 10' : 0.14967807E+01,
|
|
'29, 12' : 0.21307290E+01,
|
|
'29, 13' : 0.23163150E-01,
|
|
'29, 14' : -0.10850230E+01,
|
|
'29, 15' : -0.36892617E+01,
|
|
'29, 16' : -0.11035257E+01,
|
|
'29, 19' : -0.20535819E+01,
|
|
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|
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|
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},
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},
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'29, 2' : -0.13734753E+00,
|
|
'29, 3' : -0.12001531E+01,
|
|
'29, 6' : -0.19238674E+00,
|
|
'29, 9' : -0.32560848E+01,
|
|
'29, 10' : -0.18780610E+00,
|
|
'29, 11' : -0.62602034E-01,
|
|
'29, 12' : -0.26068318E+00,
|
|
'29, 16' : -0.16882357E+00,
|
|
'29, 17' : -0.30553826E+01,
|
|
'29, 18' : -0.10553709E+02,
|
|
'29, 19' : -0.98740333E+01,
|
|
'29, 22' : 0.37856371E-01,
|
|
'29, 25' : 0.32332829E+00,
|
|
'29, 28' : 0.28171368E+00,
|
|
'29, 29' : -0.13969900E+02,
|
|
'30, 1' : -0.29210535E-02,
|
|
'30, 2' : -0.13734753E+00,
|
|
'30, 3' : -0.12001531E+01,
|
|
'30, 6' : -0.19238674E+00,
|
|
'30, 9' : -0.32560848E+01,
|
|
'30, 10' : -0.62602034E-01,
|
|
'30, 11' : -0.18780610E+00,
|
|
'30, 12' : -0.26068318E+00,
|
|
'30, 16' : -0.16882357E+00,
|
|
'30, 17' : -0.30553826E+01,
|
|
'30, 18' : -0.10553709E+02,
|
|
'30, 19' : -0.98740333E+01,
|
|
'30, 22' : 0.37856371E-01,
|
|
'30, 25' : 0.32332829E+00,
|
|
'30, 28' : 0.28171368E+00,
|
|
'30, 29' : -0.46566334E+01,
|
|
'30, 30' : -0.13969900E+02,
|
|
'31, 1' : -0.79194049E+00,
|
|
'31, 2' : -0.26554283E+01,
|
|
'31, 3' : -0.49114358E+01,
|
|
'31, 6' : -0.30973147E+01,
|
|
'31, 9' : -0.72803615E+01,
|
|
'31, 10' : -0.15616103E+01,
|
|
'31, 11' : -0.15616103E+01,
|
|
'31, 12' : -0.41975083E+01,
|
|
'31, 16' : -0.16891440E+00,
|
|
'31, 17' : -0.30715499E+01,
|
|
'31, 18' : -0.10881976E+02,
|
|
'31, 19' : -0.10317372E+02,
|
|
'31, 22' : 0.12515107E+00,
|
|
'31, 25' : 0.12418225E+01,
|
|
'31, 28' : 0.12239046E+01,
|
|
'31, 29' : -0.47658052E+01,
|
|
'31, 30' : -0.47658052E+01,
|
|
'31, 31' : -0.14858014E+02,
|
|
'32, 13' : -0.18780610E+00,
|
|
'32, 32' : -0.13969900E+02,
|
|
'33, 4' : 0.81654871E+00,
|
|
'33, 7' : 0.29574220E+01,
|
|
'33, 14' : 0.13774966E+01,
|
|
'33, 20' : 0.65569158E-01,
|
|
'33, 23' : 0.56002102E+00,
|
|
'33, 26' : 0.48794241E+00,
|
|
'33, 33' : -0.14297416E+02,
|
|
'34, 5' : 0.81654871E+00,
|
|
'34, 8' : 0.29574220E+01,
|
|
'34, 15' : 0.13774966E+01,
|
|
'34, 21' : 0.65569158E-01,
|
|
'34, 24' : 0.56002102E+00,
|
|
'34, 27' : 0.48794241E+00,
|
|
'34, 34' : -0.14297416E+02,
|
|
},
|
|
'F-.ezfio' : {
|
|
'1, 1' : -0.78007116E+02,
|
|
'2, 1' : -0.53361448E+01,
|
|
'2, 2' : -0.13611818E+02,
|
|
'3, 1' : -0.74197786E+01,
|
|
'3, 2' : -0.94170930E+01,
|
|
'3, 3' : -0.89655672E+01,
|
|
'4, 4' : -0.15102411E+02,
|
|
'5, 5' : -0.15102411E+02,
|
|
'6, 6' : -0.15102411E+02,
|
|
'7, 4' : -0.47631759E+01,
|
|
'7, 7' : -0.56409028E+01,
|
|
'8, 5' : -0.47631759E+01,
|
|
'8, 8' : -0.56409028E+01,
|
|
'9, 6' : -0.47631759E+01,
|
|
'9, 9' : -0.56409028E+01,
|
|
'10, 1' : -0.15892458E+01,
|
|
'10, 2' : -0.75997455E+01,
|
|
'10, 3' : -0.62918956E+01,
|
|
'10, 10' : -0.98091916E+01,
|
|
'11, 1' : -0.15892458E+01,
|
|
'11, 2' : -0.75997455E+01,
|
|
'11, 3' : -0.62918956E+01,
|
|
'11, 10' : -0.32697305E+01,
|
|
'11, 11' : -0.98091916E+01,
|
|
'12, 1' : -0.15892458E+01,
|
|
'12, 2' : -0.75997455E+01,
|
|
'12, 3' : -0.62918956E+01,
|
|
'12, 10' : -0.32697305E+01,
|
|
'12, 11' : -0.32697305E+01,
|
|
'12, 12' : -0.98091916E+01,
|
|
'13, 13' : -0.98091916E+01,
|
|
'14, 14' : -0.98091916E+01,
|
|
'15, 15' : -0.98091916E+01,
|
|
},
|
|
'F.ezfio' : {
|
|
'1, 1' : -0.78007116E+02,
|
|
'2, 1' : -0.53361448E+01,
|
|
'2, 2' : -0.13611818E+02,
|
|
'3, 1' : -0.74197786E+01,
|
|
'3, 2' : -0.94170930E+01,
|
|
'3, 3' : -0.89655672E+01,
|
|
'4, 4' : -0.15102411E+02,
|
|
'5, 5' : -0.15102411E+02,
|
|
'6, 6' : -0.15102411E+02,
|
|
'7, 4' : -0.47631759E+01,
|
|
'7, 7' : -0.56409028E+01,
|
|
'8, 5' : -0.47631759E+01,
|
|
'8, 8' : -0.56409028E+01,
|
|
'9, 6' : -0.47631759E+01,
|
|
'9, 9' : -0.56409028E+01,
|
|
'10, 1' : -0.15892458E+01,
|
|
'10, 2' : -0.75997455E+01,
|
|
'10, 3' : -0.62918956E+01,
|
|
'10, 10' : -0.98091916E+01,
|
|
'11, 1' : -0.15892458E+01,
|
|
'11, 2' : -0.75997455E+01,
|
|
'11, 3' : -0.62918956E+01,
|
|
'11, 10' : -0.32697305E+01,
|
|
'11, 11' : -0.98091916E+01,
|
|
'12, 1' : -0.15892458E+01,
|
|
'12, 2' : -0.75997455E+01,
|
|
'12, 3' : -0.62918956E+01,
|
|
'12, 10' : -0.32697305E+01,
|
|
'12, 11' : -0.32697305E+01,
|
|
'12, 12' : -0.98091916E+01,
|
|
'13, 13' : -0.98091916E+01,
|
|
'14, 14' : -0.98091916E+01,
|
|
'15, 15' : -0.98091916E+01,
|
|
},
|
|
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|
|
'1, 1' : -0.78007116E+02,
|
|
'2, 1' : -0.53361448E+01,
|
|
'2, 2' : -0.13611818E+02,
|
|
'3, 1' : -0.74197786E+01,
|
|
'3, 2' : -0.94170930E+01,
|
|
'3, 3' : -0.89655672E+01,
|
|
'4, 4' : -0.15102411E+02,
|
|
'5, 5' : -0.15102411E+02,
|
|
'6, 6' : -0.15102411E+02,
|
|
'7, 4' : -0.47631759E+01,
|
|
'7, 7' : -0.56409028E+01,
|
|
'8, 5' : -0.47631759E+01,
|
|
'8, 8' : -0.56409028E+01,
|
|
'9, 6' : -0.47631759E+01,
|
|
'9, 9' : -0.56409028E+01,
|
|
'10, 1' : -0.15892458E+01,
|
|
'10, 2' : -0.75997455E+01,
|
|
'10, 3' : -0.62918956E+01,
|
|
'10, 10' : -0.98091916E+01,
|
|
'11, 1' : -0.15892458E+01,
|
|
'11, 2' : -0.75997455E+01,
|
|
'11, 3' : -0.62918956E+01,
|
|
'11, 10' : -0.32697305E+01,
|
|
'11, 11' : -0.98091916E+01,
|
|
'12, 1' : -0.15892458E+01,
|
|
'12, 2' : -0.75997455E+01,
|
|
'12, 3' : -0.62918956E+01,
|
|
'12, 10' : -0.32697305E+01,
|
|
'12, 11' : -0.32697305E+01,
|
|
'12, 12' : -0.98091916E+01,
|
|
'13, 13' : -0.98091916E+01,
|
|
'14, 14' : -0.98091916E+01,
|
|
'15, 15' : -0.98091916E+01,
|
|
},
|
|
'FH.ezfio' : {
|
|
'1, 1' : -0.78573809E+02,
|
|
'2, 1' : -0.54672673E+01,
|
|
'2, 2' : -0.14178475E+02,
|
|
'3, 1' : -0.75246299E+01,
|
|
'3, 2' : -0.98639741E+01,
|
|
'3, 3' : -0.95166285E+01,
|
|
'4, 4' : -0.15645311E+02,
|
|
'5, 5' : -0.15645311E+02,
|
|
'6, 1' : 0.21704976E-01,
|
|
'6, 2' : 0.13812525E+00,
|
|
'6, 3' : 0.13618753E+00,
|
|
'6, 6' : -0.15716421E+02,
|
|
'7, 4' : -0.50169947E+01,
|
|
'7, 7' : -0.60851783E+01,
|
|
'8, 5' : -0.50169947E+01,
|
|
'8, 8' : -0.60851783E+01,
|
|
'9, 1' : 0.30621961E-02,
|
|
'9, 2' : 0.88744181E-01,
|
|
'9, 3' : 0.20375678E+00,
|
|
'9, 6' : -0.50850835E+01,
|
|
'9, 9' : -0.62802759E+01,
|
|
'10, 1' : -0.16274918E+01,
|
|
'10, 2' : -0.79595480E+01,
|
|
'10, 3' : -0.66323357E+01,
|
|
'10, 6' : 0.56355573E-01,
|
|
'10, 9' : 0.45553972E-01,
|
|
'10, 10' : -0.10324474E+02,
|
|
'11, 1' : -0.16274918E+01,
|
|
'11, 2' : -0.79595480E+01,
|
|
'11, 3' : -0.66323357E+01,
|
|
'11, 6' : 0.56355573E-01,
|
|
'11, 9' : 0.45553972E-01,
|
|
'11, 10' : -0.34414914E+01,
|
|
'11, 11' : -0.10324474E+02,
|
|
'12, 1' : -0.16293713E+01,
|
|
'12, 2' : -0.80228797E+01,
|
|
'12, 3' : -0.67177003E+01,
|
|
'12, 6' : 0.21823999E+00,
|
|
'12, 9' : 0.20297508E+00,
|
|
'12, 10' : -0.34624461E+01,
|
|
'12, 11' : -0.34624461E+01,
|
|
'12, 12' : -0.10497001E+02,
|
|
'13, 13' : -0.10324474E+02,
|
|
'14, 4' : 0.97610715E-01,
|
|
'14, 7' : 0.78901794E-01,
|
|
'14, 14' : -0.10387338E+02,
|
|
'15, 5' : 0.97610715E-01,
|
|
'15, 8' : 0.78901794E-01,
|
|
'15, 15' : -0.10387338E+02,
|
|
'16, 1' : -0.17613486E+01,
|
|
'16, 2' : -0.30731942E+01,
|
|
'16, 3' : -0.39619853E+01,
|
|
'16, 6' : 0.23383696E+01,
|
|
'16, 9' : 0.39727659E+01,
|
|
'16, 10' : -0.18876297E+01,
|
|
'16, 11' : -0.18876297E+01,
|
|
'16, 12' : -0.33548781E+01,
|
|
'16, 16' : -0.64151054E+01,
|
|
'17, 1' : -0.22041883E+01,
|
|
'17, 2' : -0.35465830E+01,
|
|
'17, 3' : -0.45158296E+01,
|
|
'17, 6' : 0.82686663E+00,
|
|
'17, 9' : 0.18852283E+01,
|
|
'17, 10' : -0.25895038E+01,
|
|
'17, 11' : -0.25895038E+01,
|
|
'17, 12' : -0.27729688E+01,
|
|
'17, 16' : -0.39559558E+01,
|
|
'17, 17' : -0.45473794E+01,
|
|
'18, 4' : -0.16644692E+01,
|
|
'18, 7' : -0.25002854E+01,
|
|
'18, 14' : 0.19986822E+01,
|
|
'18, 18' : -0.54468052E+01,
|
|
'19, 5' : -0.16644692E+01,
|
|
'19, 8' : -0.25002854E+01,
|
|
'19, 15' : 0.19986822E+01,
|
|
'19, 19' : -0.54468052E+01,
|
|
'20, 1' : -0.38309718E+01,
|
|
'20, 2' : -0.54733795E+01,
|
|
'20, 3' : -0.48217235E+01,
|
|
'20, 6' : 0.39723629E+01,
|
|
'20, 9' : 0.21619389E+01,
|
|
'20, 10' : -0.32302334E+01,
|
|
'20, 11' : -0.32302334E+01,
|
|
'20, 12' : -0.48301362E+01,
|
|
'20, 16' : -0.17150601E+01,
|
|
'20, 17' : -0.14465615E+01,
|
|
'20, 20' : -0.69559139E+01,
|
|
},
|
|
'FH+.ezfio' : {
|
|
'1, 1' : -0.78519091E+02,
|
|
'2, 1' : -0.54546067E+01,
|
|
'2, 2' : -0.14123788E+02,
|
|
'3, 1' : -0.75145059E+01,
|
|
'3, 2' : -0.98211734E+01,
|
|
'3, 3' : -0.94699941E+01,
|
|
'4, 4' : -0.15596841E+02,
|
|
'5, 5' : -0.15596841E+02,
|
|
'6, 1' : 0.17715852E-01,
|
|
'6, 2' : 0.11280502E+00,
|
|
'6, 3' : 0.11200532E+00,
|
|
'6, 6' : -0.15649437E+02,
|
|
'7, 4' : -0.49964550E+01,
|
|
'7, 7' : -0.60599081E+01,
|
|
'8, 5' : -0.49964550E+01,
|
|
'8, 8' : -0.60599081E+01,
|
|
'9, 1' : 0.24993999E-02,
|
|
'9, 2' : 0.73208283E-01,
|
|
'9, 3' : 0.18156850E+00,
|
|
'9, 6' : -0.50485535E+01,
|
|
'9, 9' : -0.62394756E+01,
|
|
'10, 1' : -0.16239029E+01,
|
|
'10, 2' : -0.79283205E+01,
|
|
'10, 3' : -0.66043047E+01,
|
|
'10, 6' : 0.47485109E-01,
|
|
'10, 9' : 0.39324395E-01,
|
|
'10, 10' : -0.10282705E+02,
|
|
'11, 1' : -0.16239029E+01,
|
|
'11, 2' : -0.79283205E+01,
|
|
'11, 3' : -0.66043047E+01,
|
|
'11, 6' : 0.47485109E-01,
|
|
'11, 9' : 0.39324395E-01,
|
|
'11, 10' : -0.34275682E+01,
|
|
'11, 11' : -0.10282705E+02,
|
|
'12, 1' : -0.16252889E+01,
|
|
'12, 2' : -0.79751190E+01,
|
|
'12, 3' : -0.66684506E+01,
|
|
'12, 6' : 0.17545251E+00,
|
|
'12, 9' : 0.16481274E+00,
|
|
'12, 10' : -0.34439385E+01,
|
|
'12, 11' : -0.34439385E+01,
|
|
'12, 12' : -0.10409451E+02,
|
|
'13, 13' : -0.10282705E+02,
|
|
'14, 4' : 0.82246622E-01,
|
|
'14, 7' : 0.68111851E-01,
|
|
'14, 14' : -0.10331815E+02,
|
|
'15, 5' : 0.82246622E-01,
|
|
'15, 8' : 0.68111851E-01,
|
|
'15, 15' : -0.10331815E+02,
|
|
'16, 1' : -0.12874662E+01,
|
|
'16, 2' : -0.23312448E+01,
|
|
'16, 3' : -0.32379012E+01,
|
|
'16, 6' : 0.18836191E+01,
|
|
'16, 9' : 0.36507805E+01,
|
|
'16, 10' : -0.14345462E+01,
|
|
'16, 11' : -0.14345462E+01,
|
|
'16, 12' : -0.26336736E+01,
|
|
'16, 16' : -0.59575652E+01,
|
|
'17, 1' : -0.20217649E+01,
|
|
'17, 2' : -0.32578768E+01,
|
|
'17, 3' : -0.41880287E+01,
|
|
'17, 6' : 0.82335553E+00,
|
|
'17, 9' : 0.19272039E+01,
|
|
'17, 10' : -0.23780445E+01,
|
|
'17, 11' : -0.23780445E+01,
|
|
'17, 12' : -0.25580182E+01,
|
|
'17, 16' : -0.37003005E+01,
|
|
'17, 17' : -0.43706688E+01,
|
|
'18, 4' : -0.11385294E+01,
|
|
'18, 7' : -0.20300118E+01,
|
|
'18, 14' : 0.15128401E+01,
|
|
'18, 18' : -0.51001969E+01,
|
|
'19, 5' : -0.11385294E+01,
|
|
'19, 8' : -0.20300118E+01,
|
|
'19, 15' : 0.15128401E+01,
|
|
'19, 19' : -0.51001969E+01,
|
|
'20, 1' : -0.25905873E+01,
|
|
'20, 2' : -0.42006308E+01,
|
|
'20, 3' : -0.40800797E+01,
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},
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'39, 32' : 0.30684161E+00,
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'39, 39' : -0.11274814E+02,
|
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},
|
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|
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'1, 1' : -0.66780545E+01,
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'2, 1' : -0.42461943E+01,
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'2, 2' : -0.54567639E+01,
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'8, 1' : -0.31515891E+01,
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},
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'38, 31' : -0.27819890E+00,
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},
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'1, 1' : -0.12008826E+03,
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|
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|
|
},
|
|
'Na.ezfio' : {
|
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'13, 13' : -0.16767409E+01,
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'14, 1' : -0.18026482E-01,
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|
|
'18, 18' : -0.29202356E+01,
|
|
'19, 19' : -0.29202356E+01,
|
|
},
|
|
'Na+.ezfio' : {
|
|
'1, 1' : -0.11630206E+03,
|
|
'2, 1' : -0.10759135E+02,
|
|
'2, 2' : -0.17842576E+02,
|
|
'3, 1' : 0.17888034E+00,
|
|
'3, 2' : -0.14366877E+01,
|
|
'3, 3' : -0.35188073E+01,
|
|
'4, 1' : -0.10448098E+01,
|
|
'4, 2' : -0.20410697E+01,
|
|
'4, 3' : -0.28022980E+01,
|
|
'4, 4' : -0.26661620E+01,
|
|
'5, 5' : -0.18684997E+02,
|
|
'6, 6' : -0.18684997E+02,
|
|
'7, 7' : -0.18684997E+02,
|
|
'8, 5' : -0.11908957E+01,
|
|
'8, 8' : -0.29917854E+01,
|
|
'9, 6' : -0.11908957E+01,
|
|
'9, 9' : -0.29917854E+01,
|
|
'10, 7' : -0.11908957E+01,
|
|
'10, 10' : -0.29917854E+01,
|
|
'11, 5' : -0.34292928E+00,
|
|
'11, 8' : -0.16297005E+01,
|
|
'11, 11' : -0.16767409E+01,
|
|
'12, 6' : -0.34292928E+00,
|
|
'12, 9' : -0.16297005E+01,
|
|
'12, 12' : -0.16767409E+01,
|
|
'13, 7' : -0.34292928E+00,
|
|
'13, 10' : -0.16297005E+01,
|
|
'13, 13' : -0.16767409E+01,
|
|
'14, 1' : -0.18026482E-01,
|
|
'14, 2' : -0.41333863E+00,
|
|
'14, 3' : -0.22680154E+01,
|
|
'14, 4' : -0.18716192E+01,
|
|
'14, 14' : -0.29202356E+01,
|
|
'15, 1' : -0.18026482E-01,
|
|
'15, 2' : -0.41333863E+00,
|
|
'15, 3' : -0.22680154E+01,
|
|
'15, 4' : -0.18716192E+01,
|
|
'15, 14' : -0.97341187E+00,
|
|
'15, 15' : -0.29202356E+01,
|
|
'16, 1' : -0.18026482E-01,
|
|
'16, 2' : -0.41333863E+00,
|
|
'16, 3' : -0.22680154E+01,
|
|
'16, 4' : -0.18716192E+01,
|
|
'16, 14' : -0.97341187E+00,
|
|
'16, 15' : -0.97341187E+00,
|
|
'16, 16' : -0.29202356E+01,
|
|
'17, 17' : -0.29202356E+01,
|
|
'18, 18' : -0.29202356E+01,
|
|
'19, 19' : -0.29202356E+01,
|
|
},
|
|
'NaH.ezfio' : {
|
|
'1, 1' : -0.11658289E+03,
|
|
'2, 1' : -0.10828804E+02,
|
|
'2, 2' : -0.18123411E+02,
|
|
'3, 1' : 0.17826647E+00,
|
|
'3, 2' : -0.14825131E+01,
|
|
'3, 3' : -0.37707253E+01,
|
|
'4, 1' : -0.10504494E+01,
|
|
'4, 2' : -0.20886594E+01,
|
|
'4, 3' : -0.30084521E+01,
|
|
'4, 4' : -0.28685344E+01,
|
|
'5, 5' : -0.18962219E+02,
|
|
'6, 6' : -0.18962219E+02,
|
|
'7, 1' : 0.42446639E-02,
|
|
'7, 2' : 0.35013226E-01,
|
|
'7, 3' : 0.16987749E-01,
|
|
'7, 4' : 0.13233217E-01,
|
|
'7, 7' : -0.18973056E+02,
|
|
'8, 5' : -0.12318018E+01,
|
|
'8, 8' : -0.31979990E+01,
|
|
'9, 6' : -0.12318018E+01,
|
|
'9, 9' : -0.31979990E+01,
|
|
'10, 1' : 0.14781181E-03,
|
|
'10, 2' : 0.76421382E-02,
|
|
'10, 3' : 0.10655228E+00,
|
|
'10, 4' : 0.89383280E-01,
|
|
'10, 7' : -0.12392706E+01,
|
|
'10, 10' : -0.32864232E+01,
|
|
'11, 5' : -0.35470203E+00,
|
|
'11, 8' : -0.17518443E+01,
|
|
'11, 11' : -0.18149134E+01,
|
|
'12, 6' : -0.35470203E+00,
|
|
'12, 9' : -0.17518443E+01,
|
|
'12, 12' : -0.18149134E+01,
|
|
'13, 1' : 0.44438685E-04,
|
|
'13, 2' : 0.21450026E-02,
|
|
'13, 3' : 0.53568208E-01,
|
|
'13, 4' : 0.57983989E-01,
|
|
'13, 7' : -0.35702916E+00,
|
|
'13, 10' : -0.17975469E+01,
|
|
'13, 13' : -0.18479490E+01,
|
|
'14, 1' : -0.18345661E-01,
|
|
'14, 2' : -0.42748180E+00,
|
|
'14, 3' : -0.24215701E+01,
|
|
'14, 4' : -0.20029736E+01,
|
|
'14, 7' : 0.35732005E-02,
|
|
'14, 10' : 0.34160969E-01,
|
|
'14, 13' : 0.18559728E-01,
|
|
'14, 14' : -0.31198962E+01,
|
|
'15, 1' : -0.18345661E-01,
|
|
'15, 2' : -0.42748180E+00,
|
|
'15, 3' : -0.24215701E+01,
|
|
'15, 4' : -0.20029736E+01,
|
|
'15, 7' : 0.35732005E-02,
|
|
'15, 10' : 0.34160969E-01,
|
|
'15, 13' : 0.18559728E-01,
|
|
'15, 14' : -0.10399654E+01,
|
|
'15, 15' : -0.31198962E+01,
|
|
'16, 1' : -0.18380027E-01,
|
|
'16, 2' : -0.42968800E+00,
|
|
'16, 3' : -0.24900985E+01,
|
|
'16, 4' : -0.20584128E+01,
|
|
'16, 7' : 0.14789610E-01,
|
|
'16, 10' : 0.17333572E+00,
|
|
'16, 13' : 0.90225748E-01,
|
|
'16, 14' : -0.10536033E+01,
|
|
'16, 15' : -0.10536033E+01,
|
|
'16, 16' : -0.32663223E+01,
|
|
'17, 17' : -0.31198962E+01,
|
|
'18, 5' : 0.61889647E-02,
|
|
'18, 8' : 0.59168534E-01,
|
|
'18, 11' : 0.32146392E-01,
|
|
'18, 18' : -0.31608099E+01,
|
|
'19, 6' : 0.61889647E-02,
|
|
'19, 9' : 0.59168534E-01,
|
|
'19, 12' : 0.32146392E-01,
|
|
'19, 19' : -0.31608099E+01,
|
|
'20, 1' : -0.31455663E-01,
|
|
'20, 2' : -0.16042946E+00,
|
|
'20, 3' : -0.10550644E+01,
|
|
'20, 4' : -0.79158155E+00,
|
|
'20, 7' : 0.28588199E+00,
|
|
'20, 10' : 0.15652396E+01,
|
|
'20, 13' : 0.68649955E+00,
|
|
'20, 14' : -0.16508564E+00,
|
|
'20, 15' : -0.16508564E+00,
|
|
'20, 16' : -0.19391343E+01,
|
|
'20, 20' : -0.44670418E+01,
|
|
'21, 1' : -0.78164603E+00,
|
|
'21, 2' : -0.15913875E+01,
|
|
'21, 3' : -0.21856575E+01,
|
|
'21, 4' : -0.18118504E+01,
|
|
'21, 7' : 0.82700489E+00,
|
|
'21, 10' : 0.22568790E+01,
|
|
'21, 13' : 0.12045027E+01,
|
|
'21, 14' : -0.92773902E+00,
|
|
'21, 15' : -0.92773902E+00,
|
|
'21, 16' : -0.24504802E+01,
|
|
'21, 20' : -0.27650850E+01,
|
|
'21, 21' : -0.36068190E+01,
|
|
'22, 5' : -0.46900682E-01,
|
|
'22, 8' : -0.40181215E+00,
|
|
'22, 11' : -0.17302328E+00,
|
|
'22, 18' : 0.83728791E+00,
|
|
'22, 22' : -0.39124829E+01,
|
|
'23, 6' : -0.46900682E-01,
|
|
'23, 9' : -0.40181215E+00,
|
|
'23, 12' : -0.17302328E+00,
|
|
'23, 19' : 0.83728791E+00,
|
|
'23, 23' : -0.39124829E+01,
|
|
'24, 1' : -0.12257589E-01,
|
|
'24, 2' : -0.16775500E+00,
|
|
'24, 3' : -0.52314565E+00,
|
|
'24, 4' : -0.26988887E+00,
|
|
'24, 7' : 0.36152076E+00,
|
|
'24, 10' : 0.50799118E+00,
|
|
'24, 13' : 0.40100325E-01,
|
|
'24, 14' : -0.87608028E-01,
|
|
'24, 15' : -0.87608028E-01,
|
|
'24, 16' : -0.48483272E+00,
|
|
'24, 20' : -0.54579701E+00,
|
|
'24, 21' : -0.51194474E+00,
|
|
'24, 24' : -0.41638292E+01,
|
|
},
|
|
'N.ezfio' : {
|
|
'1, 1' : -0.46759691E+02,
|
|
'2, 1' : -0.28277087E+01,
|
|
'2, 2' : -0.79386396E+01,
|
|
'3, 1' : -0.43592978E+01,
|
|
'3, 2' : -0.55456158E+01,
|
|
'3, 3' : -0.52962228E+01,
|
|
'4, 4' : -0.88274749E+01,
|
|
'5, 5' : -0.88274749E+01,
|
|
'6, 6' : -0.88274749E+01,
|
|
'7, 4' : -0.30355960E+01,
|
|
'7, 7' : -0.34809883E+01,
|
|
'8, 5' : -0.30355960E+01,
|
|
'8, 8' : -0.34809883E+01,
|
|
'9, 6' : -0.30355960E+01,
|
|
'9, 9' : -0.34809883E+01,
|
|
'10, 1' : -0.73791458E+00,
|
|
'10, 2' : -0.41076957E+01,
|
|
'10, 3' : -0.36319790E+01,
|
|
'10, 10' : -0.53849026E+01,
|
|
'11, 1' : -0.73791458E+00,
|
|
'11, 2' : -0.41076957E+01,
|
|
'11, 3' : -0.36319790E+01,
|
|
'11, 10' : -0.17949675E+01,
|
|
'11, 11' : -0.53849026E+01,
|
|
'12, 1' : -0.73791458E+00,
|
|
'12, 2' : -0.41076957E+01,
|
|
'12, 3' : -0.36319790E+01,
|
|
'12, 10' : -0.17949675E+01,
|
|
'12, 11' : -0.17949675E+01,
|
|
'12, 12' : -0.53849026E+01,
|
|
'13, 13' : -0.53849026E+01,
|
|
'14, 14' : -0.53849026E+01,
|
|
'15, 15' : -0.53849026E+01,
|
|
},
|
|
'N+.ezfio' : {
|
|
'1, 1' : -0.46759691E+02,
|
|
'2, 1' : -0.28277087E+01,
|
|
'2, 2' : -0.79386396E+01,
|
|
'3, 1' : -0.43592978E+01,
|
|
'3, 2' : -0.55456158E+01,
|
|
'3, 3' : -0.52962228E+01,
|
|
'4, 4' : -0.88274749E+01,
|
|
'5, 5' : -0.88274749E+01,
|
|
'6, 6' : -0.88274749E+01,
|
|
'7, 4' : -0.30355960E+01,
|
|
'7, 7' : -0.34809883E+01,
|
|
'8, 5' : -0.30355960E+01,
|
|
'8, 8' : -0.34809883E+01,
|
|
'9, 6' : -0.30355960E+01,
|
|
'9, 9' : -0.34809883E+01,
|
|
'10, 1' : -0.73791458E+00,
|
|
'10, 2' : -0.41076957E+01,
|
|
'10, 3' : -0.36319790E+01,
|
|
'10, 10' : -0.53849026E+01,
|
|
'11, 1' : -0.73791458E+00,
|
|
'11, 2' : -0.41076957E+01,
|
|
'11, 3' : -0.36319790E+01,
|
|
'11, 10' : -0.17949675E+01,
|
|
'11, 11' : -0.53849026E+01,
|
|
'12, 1' : -0.73791458E+00,
|
|
'12, 2' : -0.41076957E+01,
|
|
'12, 3' : -0.36319790E+01,
|
|
'12, 10' : -0.17949675E+01,
|
|
'12, 11' : -0.17949675E+01,
|
|
'12, 12' : -0.53849026E+01,
|
|
'13, 13' : -0.53849026E+01,
|
|
'14, 14' : -0.53849026E+01,
|
|
'15, 15' : -0.53849026E+01,
|
|
},
|
|
'NF.ezfio' : {
|
|
'1, 1' : -0.50359534E+02,
|
|
'2, 1' : -0.36067669E+01,
|
|
'2, 2' : -0.11538415E+02,
|
|
'3, 1' : -0.50134903E+01,
|
|
'3, 2' : -0.84068212E+01,
|
|
'3, 3' : -0.88321622E+01,
|
|
'4, 4' : -0.12296354E+02,
|
|
'5, 5' : -0.12296354E+02,
|
|
'6, 1' : -0.12287492E+00,
|
|
'6, 2' : -0.82357202E+00,
|
|
'6, 3' : -0.80626971E+00,
|
|
'6, 6' : -0.12688854E+02,
|
|
'7, 4' : -0.47791933E+01,
|
|
'7, 7' : -0.64447832E+01,
|
|
'8, 5' : -0.47791933E+01,
|
|
'8, 8' : -0.64447832E+01,
|
|
'9, 1' : -0.19090022E-01,
|
|
'9, 2' : -0.57500234E+00,
|
|
'9, 3' : -0.13113487E+01,
|
|
'9, 6' : -0.51773775E+01,
|
|
'9, 9' : -0.77059736E+01,
|
|
'10, 1' : -0.93017727E+00,
|
|
'10, 2' : -0.62970794E+01,
|
|
'10, 3' : -0.58779148E+01,
|
|
'10, 6' : -0.33631851E+00,
|
|
'10, 9' : -0.33570640E+00,
|
|
'10, 10' : -0.86581642E+01,
|
|
'11, 1' : -0.93017727E+00,
|
|
'11, 2' : -0.62970794E+01,
|
|
'11, 3' : -0.58779148E+01,
|
|
'11, 6' : -0.33631851E+00,
|
|
'11, 9' : -0.33570640E+00,
|
|
'11, 10' : -0.28860547E+01,
|
|
'11, 11' : -0.86581642E+01,
|
|
'12, 1' : -0.93837887E+00,
|
|
'12, 2' : -0.66586976E+01,
|
|
'12, 3' : -0.64252910E+01,
|
|
'12, 6' : -0.12810121E+01,
|
|
'12, 9' : -0.14757949E+01,
|
|
'12, 10' : -0.30191693E+01,
|
|
'12, 11' : -0.30191693E+01,
|
|
'12, 12' : -0.97541464E+01,
|
|
'13, 13' : -0.86581642E+01,
|
|
'14, 4' : -0.58252075E+00,
|
|
'14, 7' : -0.58146055E+00,
|
|
'14, 14' : -0.90575078E+01,
|
|
'15, 5' : -0.58252075E+00,
|
|
'15, 8' : -0.58146055E+00,
|
|
'15, 15' : -0.90575078E+01,
|
|
'16, 1' : -0.32749119E-06,
|
|
'16, 2' : -0.15711255E+00,
|
|
'16, 3' : -0.13305311E+01,
|
|
'16, 6' : -0.35924711E+00,
|
|
'16, 9' : -0.31255992E+01,
|
|
'16, 10' : -0.55343837E-02,
|
|
'16, 11' : -0.55343837E-02,
|
|
'16, 12' : -0.10964176E+01,
|
|
'16, 16' : -0.80806994E+02,
|
|
'17, 1' : -0.14256225E-01,
|
|
'17, 2' : -0.74386451E+00,
|
|
'17, 3' : -0.26251616E+01,
|
|
'17, 6' : -0.13415335E+01,
|
|
'17, 9' : -0.53914046E+01,
|
|
'17, 10' : -0.22245944E+00,
|
|
'17, 11' : -0.22245944E+00,
|
|
'17, 12' : -0.30205364E+01,
|
|
'17, 16' : -0.59839867E+01,
|
|
'17, 17' : -0.16411695E+02,
|
|
'18, 1' : -0.71389918E+00,
|
|
'18, 2' : -0.22664494E+01,
|
|
'18, 3' : -0.42084786E+01,
|
|
'18, 6' : -0.25893389E+01,
|
|
'18, 9' : -0.64906040E+01,
|
|
'18, 10' : -0.13002783E+01,
|
|
'18, 11' : -0.13002783E+01,
|
|
'18, 12' : -0.41987640E+01,
|
|
'18, 16' : -0.79378215E+01,
|
|
'18, 17' : -0.11627639E+02,
|
|
'18, 18' : -0.11760406E+02,
|
|
'19, 4' : -0.28506321E+00,
|
|
'19, 7' : -0.11953587E+01,
|
|
'19, 14' : -0.10498074E+01,
|
|
'19, 19' : -0.17843724E+02,
|
|
'20, 5' : -0.28506321E+00,
|
|
'20, 8' : -0.11953587E+01,
|
|
'20, 15' : -0.10498074E+01,
|
|
'20, 20' : -0.17843724E+02,
|
|
'21, 1' : 0.40723233E-01,
|
|
'21, 2' : 0.10553669E+01,
|
|
'21, 3' : 0.15953815E+01,
|
|
'21, 6' : 0.17675740E+01,
|
|
'21, 9' : 0.19812948E+01,
|
|
'21, 10' : 0.31363386E+00,
|
|
'21, 11' : 0.31363386E+00,
|
|
'21, 12' : 0.34784007E+01,
|
|
'21, 16' : 0.75691087E-01,
|
|
'21, 17' : 0.48201719E+00,
|
|
'21, 18' : 0.48023993E+00,
|
|
'21, 21' : -0.18019416E+02,
|
|
'22, 4' : -0.14557787E+01,
|
|
'22, 7' : -0.31389254E+01,
|
|
'22, 14' : -0.22602525E+01,
|
|
'22, 19' : -0.60767507E+01,
|
|
'22, 22' : -0.81200663E+01,
|
|
'23, 5' : -0.14557787E+01,
|
|
'23, 8' : -0.31389254E+01,
|
|
'23, 15' : -0.22602525E+01,
|
|
'23, 20' : -0.60767507E+01,
|
|
'23, 23' : -0.81200663E+01,
|
|
'24, 1' : 0.23961131E+01,
|
|
'24, 2' : 0.48070791E+01,
|
|
'24, 3' : 0.48741649E+01,
|
|
'24, 6' : 0.37353159E+01,
|
|
'24, 9' : 0.29778819E+01,
|
|
'24, 10' : 0.30064145E+01,
|
|
'24, 11' : 0.30064145E+01,
|
|
'24, 12' : 0.51445443E+01,
|
|
'24, 16' : 0.10678701E-01,
|
|
'24, 17' : 0.31444987E+00,
|
|
'24, 18' : 0.86946372E+00,
|
|
'24, 21' : -0.62546310E+01,
|
|
'24, 24' : -0.89692902E+01,
|
|
'25, 1' : -0.95215948E-03,
|
|
'25, 2' : -0.37557318E+00,
|
|
'25, 3' : -0.18533648E+01,
|
|
'25, 6' : -0.68870068E+00,
|
|
'25, 9' : -0.39149206E+01,
|
|
'25, 10' : -0.28318186E+00,
|
|
'25, 11' : -0.94393955E-01,
|
|
'25, 12' : -0.16439703E+01,
|
|
'25, 16' : -0.17797625E+01,
|
|
'25, 17' : -0.94299030E+01,
|
|
'25, 18' : -0.80463247E+01,
|
|
'25, 21' : 0.21388512E+00,
|
|
'25, 24' : 0.18410870E+00,
|
|
'25, 25' : -0.12477498E+02,
|
|
'26, 1' : -0.95215948E-03,
|
|
'26, 2' : -0.37557318E+00,
|
|
'26, 3' : -0.18533648E+01,
|
|
'26, 6' : -0.68870068E+00,
|
|
'26, 9' : -0.39149206E+01,
|
|
'26, 10' : -0.94393955E-01,
|
|
'26, 11' : -0.28318186E+00,
|
|
'26, 12' : -0.16439703E+01,
|
|
'26, 16' : -0.17797625E+01,
|
|
'26, 17' : -0.94299030E+01,
|
|
'26, 18' : -0.80463247E+01,
|
|
'26, 21' : 0.21388512E+00,
|
|
'26, 24' : 0.18410870E+00,
|
|
'26, 25' : -0.41591659E+01,
|
|
'26, 26' : -0.12477498E+02,
|
|
'27, 1' : -0.56015957E-01,
|
|
'27, 2' : -0.15161316E+01,
|
|
'27, 3' : -0.26173067E+01,
|
|
'27, 6' : -0.24580348E+01,
|
|
'27, 9' : -0.43691037E+01,
|
|
'27, 10' : -0.43462739E+00,
|
|
'27, 11' : -0.43462739E+00,
|
|
'27, 12' : -0.45028477E+01,
|
|
'27, 16' : -0.17843889E+01,
|
|
'27, 17' : -0.95861771E+01,
|
|
'27, 18' : -0.82622425E+01,
|
|
'27, 21' : 0.72785350E+00,
|
|
'27, 24' : 0.67866644E+00,
|
|
'27, 25' : -0.42191230E+01,
|
|
'27, 26' : -0.42191230E+01,
|
|
'27, 27' : -0.12895526E+02,
|
|
'28, 13' : -0.28318186E+00,
|
|
'28, 28' : -0.12477498E+02,
|
|
'29, 4' : 0.55046285E+00,
|
|
'29, 7' : 0.85010205E+00,
|
|
'29, 14' : 0.17859924E+01,
|
|
'29, 19' : 0.37045990E+00,
|
|
'29, 22' : 0.31888562E+00,
|
|
'29, 29' : -0.12657369E+02,
|
|
'30, 5' : 0.55046285E+00,
|
|
'30, 8' : 0.85010205E+00,
|
|
'30, 15' : 0.17859924E+01,
|
|
'30, 20' : 0.37045990E+00,
|
|
'30, 23' : 0.31888562E+00,
|
|
'30, 30' : -0.12657369E+02,
|
|
},
|
|
'NH2-.ezfio' : {
|
|
'1, 1' : -0.47766060E+02,
|
|
'2, 1' : -0.30455015E+01,
|
|
'2, 2' : -0.89442879E+01,
|
|
'3, 1' : -0.45421832E+01,
|
|
'3, 2' : -0.63411163E+01,
|
|
'3, 3' : -0.62427182E+01,
|
|
'4, 4' : -0.97759335E+01,
|
|
'5, 5' : -0.98716982E+01,
|
|
'6, 1' : 0.28566618E-01,
|
|
'6, 2' : 0.19042782E+00,
|
|
'6, 3' : 0.18090826E+00,
|
|
'6, 6' : -0.98502630E+01,
|
|
'7, 4' : -0.35013205E+01,
|
|
'7, 7' : -0.42275841E+01,
|
|
'8, 5' : -0.35879502E+01,
|
|
'8, 8' : -0.44094458E+01,
|
|
'9, 1' : 0.44381489E-02,
|
|
'9, 2' : 0.12723139E+00,
|
|
'9, 3' : 0.23979570E+00,
|
|
'9, 6' : -0.35685597E+01,
|
|
'9, 9' : -0.43687392E+01,
|
|
'10, 1' : -0.79121809E+00,
|
|
'10, 2' : -0.47001392E+01,
|
|
'10, 3' : -0.42300251E+01,
|
|
'10, 6' : 0.70852137E-01,
|
|
'10, 9' : 0.65414626E-01,
|
|
'10, 10' : -0.62534393E+01,
|
|
'11, 1' : -0.79326106E+00,
|
|
'11, 2' : -0.47875979E+01,
|
|
'11, 3' : -0.43494994E+01,
|
|
'11, 6' : 0.12325792E+00,
|
|
'11, 9' : 0.13697831E+00,
|
|
'11, 10' : -0.21115725E+01,
|
|
'11, 11' : -0.64718327E+01,
|
|
'12, 1' : -0.79280378E+00,
|
|
'12, 2' : -0.47680218E+01,
|
|
'12, 3' : -0.43227571E+01,
|
|
'12, 6' : 0.25323208E+00,
|
|
'12, 9' : 0.25178928E+00,
|
|
'12, 10' : -0.21055083E+01,
|
|
'12, 11' : -0.21759398E+01,
|
|
'12, 12' : -0.64132485E+01,
|
|
'13, 13' : -0.63347175E+01,
|
|
'14, 4' : 0.12271950E+00,
|
|
'14, 7' : 0.11330146E+00,
|
|
'14, 14' : -0.63165248E+01,
|
|
'15, 5' : 0.21348899E+00,
|
|
'15, 8' : 0.23725339E+00,
|
|
'15, 15' : -0.65278195E+01,
|
|
'16, 1' : -0.11142075E+01,
|
|
'16, 2' : -0.22336711E+01,
|
|
'16, 3' : -0.27397884E+01,
|
|
'16, 5' : -0.16152249E+01,
|
|
'16, 6' : 0.14621429E+01,
|
|
'16, 8' : -0.22162600E+01,
|
|
'16, 9' : 0.19996659E+01,
|
|
'16, 10' : -0.11895748E+01,
|
|
'16, 11' : -0.22600210E+01,
|
|
'16, 12' : -0.20541401E+01,
|
|
'16, 15' : 0.16380675E+01,
|
|
'16, 16' : -0.52166725E+01,
|
|
'17, 1' : -0.18081257E+01,
|
|
'17, 2' : -0.30167184E+01,
|
|
'17, 3' : -0.36767847E+01,
|
|
'17, 5' : -0.70883810E+00,
|
|
'17, 6' : 0.71301606E+00,
|
|
'17, 8' : -0.13399923E+01,
|
|
'17, 9' : 0.13334190E+01,
|
|
'17, 10' : -0.21663305E+01,
|
|
'17, 11' : -0.23820972E+01,
|
|
'17, 12' : -0.23581476E+01,
|
|
'17, 15' : 0.25933354E+00,
|
|
'17, 16' : -0.32178533E+01,
|
|
'17, 17' : -0.38211537E+01,
|
|
'18, 4' : -0.12403031E+01,
|
|
'18, 7' : -0.15663970E+01,
|
|
'18, 13' : -0.15392631E+01,
|
|
'18, 14' : 0.13785698E+01,
|
|
'18, 18' : -0.44454358E+01,
|
|
'19, 1' : 0.16516114E+01,
|
|
'19, 2' : 0.25952397E+01,
|
|
'19, 3' : 0.19998936E+01,
|
|
'19, 5' : 0.12786067E+01,
|
|
'19, 6' : -0.22691490E+01,
|
|
'19, 8' : 0.80355321E-02,
|
|
'19, 9' : -0.14307048E+01,
|
|
'19, 10' : 0.12456699E+01,
|
|
'19, 11' : 0.11512457E+01,
|
|
'19, 12' : 0.26080245E+01,
|
|
'19, 15' : -0.12111789E+01,
|
|
'19, 16' : 0.88772854E+00,
|
|
'19, 17' : 0.78680724E+00,
|
|
'19, 19' : -0.49802661E+01,
|
|
'20, 1' : -0.14538773E+01,
|
|
'20, 2' : -0.22558674E+01,
|
|
'20, 3' : -0.17117607E+01,
|
|
'20, 5' : -0.22075337E+01,
|
|
'20, 6' : 0.72992915E+00,
|
|
'20, 8' : -0.13606333E+01,
|
|
'20, 9' : -0.35656502E+00,
|
|
'20, 10' : -0.10844647E+01,
|
|
'20, 11' : -0.25576100E+01,
|
|
'20, 12' : -0.66511338E+00,
|
|
'20, 15' : 0.72601936E+00,
|
|
'20, 16' : -0.71978344E+00,
|
|
'20, 17' : -0.63482652E+00,
|
|
'20, 19' : 0.43692801E+00,
|
|
'20, 20' : -0.48303710E+01,
|
|
'21, 1' : -0.11142075E+01,
|
|
'21, 2' : -0.22336711E+01,
|
|
'21, 3' : -0.27397884E+01,
|
|
'21, 5' : 0.16152249E+01,
|
|
'21, 6' : 0.14621429E+01,
|
|
'21, 8' : 0.22162600E+01,
|
|
'21, 9' : 0.19996659E+01,
|
|
'21, 10' : -0.11895748E+01,
|
|
'21, 11' : -0.22600210E+01,
|
|
'21, 12' : -0.20541401E+01,
|
|
'21, 15' : -0.16380675E+01,
|
|
'21, 16' : -0.63264650E+00,
|
|
'21, 17' : -0.15234234E+01,
|
|
'21, 19' : 0.88248054E+00,
|
|
'21, 20' : -0.13860499E+00,
|
|
'21, 21' : -0.52166725E+01,
|
|
'22, 1' : -0.18081257E+01,
|
|
'22, 2' : -0.30167184E+01,
|
|
'22, 3' : -0.36767847E+01,
|
|
'22, 5' : 0.70883810E+00,
|
|
'22, 6' : 0.71301606E+00,
|
|
'22, 8' : 0.13399923E+01,
|
|
'22, 9' : 0.13334190E+01,
|
|
'22, 10' : -0.21663305E+01,
|
|
'22, 11' : -0.23820972E+01,
|
|
'22, 12' : -0.23581476E+01,
|
|
'22, 15' : -0.25933354E+00,
|
|
'22, 16' : -0.15234234E+01,
|
|
'22, 17' : -0.25336227E+01,
|
|
'22, 19' : 0.11921936E+01,
|
|
'22, 20' : -0.36280502E+00,
|
|
'22, 21' : -0.32178533E+01,
|
|
'22, 22' : -0.38211537E+01,
|
|
'23, 4' : -0.12403031E+01,
|
|
'23, 7' : -0.15663970E+01,
|
|
'23, 13' : 0.15392631E+01,
|
|
'23, 14' : 0.13785698E+01,
|
|
'23, 18' : -0.21498595E+00,
|
|
'23, 23' : -0.44454358E+01,
|
|
'24, 1' : -0.16516114E+01,
|
|
'24, 2' : -0.25952397E+01,
|
|
'24, 3' : -0.19998936E+01,
|
|
'24, 5' : 0.12786067E+01,
|
|
'24, 6' : 0.22691490E+01,
|
|
'24, 8' : 0.80355321E-02,
|
|
'24, 9' : 0.14307048E+01,
|
|
'24, 10' : -0.12456699E+01,
|
|
'24, 11' : -0.11512457E+01,
|
|
'24, 12' : -0.26080245E+01,
|
|
'24, 15' : -0.12111789E+01,
|
|
'24, 16' : -0.88248054E+00,
|
|
'24, 17' : -0.11921936E+01,
|
|
'24, 19' : 0.14297525E+01,
|
|
'24, 20' : -0.19784813E+00,
|
|
'24, 21' : -0.88772854E+00,
|
|
'24, 22' : -0.78680724E+00,
|
|
'24, 24' : -0.49802661E+01,
|
|
'25, 1' : -0.14538773E+01,
|
|
'25, 2' : -0.22558674E+01,
|
|
'25, 3' : -0.17117607E+01,
|
|
'25, 5' : 0.22075337E+01,
|
|
'25, 6' : 0.72992915E+00,
|
|
'25, 8' : 0.13606333E+01,
|
|
'25, 9' : -0.35656502E+00,
|
|
'25, 10' : -0.10844647E+01,
|
|
'25, 11' : -0.25576100E+01,
|
|
'25, 12' : -0.66511338E+00,
|
|
'25, 15' : -0.72601936E+00,
|
|
'25, 16' : -0.13860499E+00,
|
|
'25, 17' : -0.36280502E+00,
|
|
'25, 19' : 0.19784813E+00,
|
|
'25, 20' : -0.28863588E+00,
|
|
'25, 21' : -0.71978344E+00,
|
|
'25, 22' : -0.63482652E+00,
|
|
'25, 24' : -0.43692801E+00,
|
|
'25, 25' : -0.48303710E+01,
|
|
},
|
|
'NH2.ezfio' : {
|
|
'1, 1' : -0.47782927E+02,
|
|
'2, 1' : -0.30491519E+01,
|
|
'2, 2' : -0.89609745E+01,
|
|
'3, 1' : -0.45452485E+01,
|
|
'3, 2' : -0.63537208E+01,
|
|
'3, 3' : -0.62541592E+01,
|
|
'4, 4' : -0.97898486E+01,
|
|
'5, 5' : -0.98975652E+01,
|
|
'6, 1' : 0.28083571E-01,
|
|
'6, 2' : 0.18699228E+00,
|
|
'6, 3' : 0.17693493E+00,
|
|
'6, 6' : -0.98602259E+01,
|
|
'7, 4' : -0.35071518E+01,
|
|
'7, 7' : -0.42334312E+01,
|
|
'8, 5' : -0.36033254E+01,
|
|
'8, 8' : -0.44292305E+01,
|
|
'9, 1' : 0.43631009E-02,
|
|
'9, 2' : 0.12422088E+00,
|
|
'9, 3' : 0.23048551E+00,
|
|
'9, 6' : -0.35699874E+01,
|
|
'9, 9' : -0.43613578E+01,
|
|
'10, 1' : -0.79206993E+00,
|
|
'10, 2' : -0.47082461E+01,
|
|
'10, 3' : -0.42373340E+01,
|
|
'10, 6' : 0.69003395E-01,
|
|
'10, 9' : 0.63261877E-01,
|
|
'10, 10' : -0.62638990E+01,
|
|
'11, 1' : -0.79437686E+00,
|
|
'11, 2' : -0.48064668E+01,
|
|
'11, 3' : -0.43699758E+01,
|
|
'11, 6' : 0.12553246E+00,
|
|
'11, 9' : 0.13872127E+00,
|
|
'11, 10' : -0.21179625E+01,
|
|
'11, 11' : -0.65121803E+01,
|
|
'12, 1' : -0.79357717E+00,
|
|
'12, 2' : -0.47724192E+01,
|
|
'12, 3' : -0.43239963E+01,
|
|
'12, 6' : 0.24394378E+00,
|
|
'12, 9' : 0.23908747E+00,
|
|
'12, 10' : -0.21075645E+01,
|
|
'12, 11' : -0.21821877E+01,
|
|
'12, 12' : -0.64106453E+01,
|
|
'13, 13' : -0.63538875E+01,
|
|
'14, 4' : 0.11951739E+00,
|
|
'14, 7' : 0.10957279E+00,
|
|
'14, 14' : -0.63226935E+01,
|
|
'15, 5' : 0.21742859E+00,
|
|
'15, 8' : 0.24027229E+00,
|
|
'15, 15' : -0.65465630E+01,
|
|
'16, 1' : -0.11793125E+01,
|
|
'16, 2' : -0.23324977E+01,
|
|
'16, 3' : -0.28151544E+01,
|
|
'16, 5' : -0.17317815E+01,
|
|
'16, 6' : 0.14372466E+01,
|
|
'16, 8' : -0.23173413E+01,
|
|
'16, 9' : 0.19160202E+01,
|
|
'16, 10' : -0.12408559E+01,
|
|
'16, 11' : -0.24169791E+01,
|
|
'16, 12' : -0.20393936E+01,
|
|
'16, 15' : 0.16515677E+01,
|
|
'16, 16' : -0.52664024E+01,
|
|
'17, 1' : -0.18377296E+01,
|
|
'17, 2' : -0.30633517E+01,
|
|
'17, 3' : -0.37205027E+01,
|
|
'17, 5' : -0.73569046E+00,
|
|
'17, 6' : 0.68019212E+00,
|
|
'17, 8' : -0.13837010E+01,
|
|
'17, 9' : 0.12612009E+01,
|
|
'17, 10' : -0.21995443E+01,
|
|
'17, 11' : -0.24313175E+01,
|
|
'17, 12' : -0.23728383E+01,
|
|
'17, 15' : 0.25493121E+00,
|
|
'17, 16' : -0.32460539E+01,
|
|
'17, 17' : -0.38401210E+01,
|
|
'18, 4' : -0.13153111E+01,
|
|
'18, 7' : -0.16105434E+01,
|
|
'18, 13' : -0.16571325E+01,
|
|
'18, 14' : 0.13608923E+01,
|
|
'18, 18' : -0.44832544E+01,
|
|
'19, 1' : 0.18399173E+01,
|
|
'19, 2' : 0.27914850E+01,
|
|
'19, 3' : 0.21164093E+01,
|
|
'19, 5' : 0.14679166E+01,
|
|
'19, 6' : -0.22981627E+01,
|
|
'19, 8' : 0.78359310E-01,
|
|
'19, 9' : -0.14045976E+01,
|
|
'19, 10' : 0.13427292E+01,
|
|
'19, 11' : 0.13135841E+01,
|
|
'19, 12' : 0.26245721E+01,
|
|
'19, 15' : -0.12996058E+01,
|
|
'19, 16' : 0.94038438E+00,
|
|
'19, 17' : 0.82888381E+00,
|
|
'19, 19' : -0.50760794E+01,
|
|
'20, 1' : -0.14859747E+01,
|
|
'20, 2' : -0.22275567E+01,
|
|
'20, 3' : -0.16652446E+01,
|
|
'20, 5' : -0.22380905E+01,
|
|
'20, 6' : 0.51666898E+00,
|
|
'20, 8' : -0.13398943E+01,
|
|
'20, 9' : -0.51800175E+00,
|
|
'20, 10' : -0.10729641E+01,
|
|
'20, 11' : -0.25866137E+01,
|
|
'20, 12' : -0.51482498E+00,
|
|
'20, 15' : 0.47806310E+00,
|
|
'20, 16' : -0.70510191E+00,
|
|
'20, 17' : -0.61844763E+00,
|
|
'20, 19' : 0.44950923E+00,
|
|
'20, 20' : -0.48465946E+01,
|
|
'21, 1' : -0.11793125E+01,
|
|
'21, 2' : -0.23324977E+01,
|
|
'21, 3' : -0.28151544E+01,
|
|
'21, 5' : 0.17317815E+01,
|
|
'21, 6' : 0.14372466E+01,
|
|
'21, 8' : 0.23173413E+01,
|
|
'21, 9' : 0.19160202E+01,
|
|
'21, 10' : -0.12408559E+01,
|
|
'21, 11' : -0.24169791E+01,
|
|
'21, 12' : -0.20393936E+01,
|
|
'21, 15' : -0.16515677E+01,
|
|
'21, 16' : -0.60062612E+00,
|
|
'21, 17' : -0.14973101E+01,
|
|
'21, 19' : 0.84516509E+00,
|
|
'21, 20' : -0.13166478E+00,
|
|
'21, 21' : -0.52664024E+01,
|
|
'22, 1' : -0.18377296E+01,
|
|
'22, 2' : -0.30633517E+01,
|
|
'22, 3' : -0.37205027E+01,
|
|
'22, 5' : 0.73569046E+00,
|
|
'22, 6' : 0.68019212E+00,
|
|
'22, 8' : 0.13837010E+01,
|
|
'22, 9' : 0.12612009E+01,
|
|
'22, 10' : -0.21995443E+01,
|
|
'22, 11' : -0.24313175E+01,
|
|
'22, 12' : -0.23728383E+01,
|
|
'22, 15' : -0.25493121E+00,
|
|
'22, 16' : -0.14973101E+01,
|
|
'22, 17' : -0.25080850E+01,
|
|
'22, 19' : 0.12050261E+01,
|
|
'22, 20' : -0.34856734E+00,
|
|
'22, 21' : -0.32460539E+01,
|
|
'22, 22' : -0.38401210E+01,
|
|
'23, 4' : -0.13153111E+01,
|
|
'23, 7' : -0.16105434E+01,
|
|
'23, 13' : 0.16571325E+01,
|
|
'23, 14' : 0.13608923E+01,
|
|
'23, 18' : -0.19474918E+00,
|
|
'23, 23' : -0.44832544E+01,
|
|
'24, 1' : -0.18399173E+01,
|
|
'24, 2' : -0.27914850E+01,
|
|
'24, 3' : -0.21164093E+01,
|
|
'24, 5' : 0.14679166E+01,
|
|
'24, 6' : 0.22981627E+01,
|
|
'24, 8' : 0.78359310E-01,
|
|
'24, 9' : 0.14045976E+01,
|
|
'24, 10' : -0.13427292E+01,
|
|
'24, 11' : -0.13135841E+01,
|
|
'24, 12' : -0.26245721E+01,
|
|
'24, 15' : -0.12996058E+01,
|
|
'24, 16' : -0.84516509E+00,
|
|
'24, 17' : -0.12050261E+01,
|
|
'24, 19' : 0.13760079E+01,
|
|
'24, 20' : -0.19044709E+00,
|
|
'24, 21' : -0.94038438E+00,
|
|
'24, 22' : -0.82888381E+00,
|
|
'24, 24' : -0.50760794E+01,
|
|
'25, 1' : -0.14859747E+01,
|
|
'25, 2' : -0.22275567E+01,
|
|
'25, 3' : -0.16652446E+01,
|
|
'25, 5' : 0.22380905E+01,
|
|
'25, 6' : 0.51666898E+00,
|
|
'25, 8' : 0.13398943E+01,
|
|
'25, 9' : -0.51800175E+00,
|
|
'25, 10' : -0.10729641E+01,
|
|
'25, 11' : -0.25866137E+01,
|
|
'25, 12' : -0.51482498E+00,
|
|
'25, 15' : -0.47806310E+00,
|
|
'25, 16' : -0.13166478E+00,
|
|
'25, 17' : -0.34856734E+00,
|
|
'25, 19' : 0.19044709E+00,
|
|
'25, 20' : -0.26309535E+00,
|
|
'25, 21' : -0.70510191E+00,
|
|
'25, 22' : -0.61844763E+00,
|
|
'25, 24' : -0.44950923E+00,
|
|
'25, 25' : -0.48465946E+01,
|
|
},
|
|
'NH3.ezfio' : {
|
|
'1, 1' : -0.48317019E+02,
|
|
'2, 1' : -0.31647370E+01,
|
|
'2, 2' : -0.94943311E+01,
|
|
'3, 1' : -0.46423079E+01,
|
|
'3, 2' : -0.67744496E+01,
|
|
'3, 3' : -0.67480516E+01,
|
|
'4, 1' : 0.12252185E-05,
|
|
'4, 2' : 0.79185951E-05,
|
|
'4, 3' : 0.67898621E-05,
|
|
'4, 4' : -0.10407331E+02,
|
|
'5, 1' : 0.26887689E-01,
|
|
'5, 2' : 0.17882265E+00,
|
|
'5, 3' : 0.16857538E+00,
|
|
'5, 4' : -0.30284863E-05,
|
|
'5, 5' : -0.10331678E+02,
|
|
'6, 6' : -0.10407331E+02,
|
|
'7, 1' : 0.19034983E-06,
|
|
'7, 2' : 0.45546799E-05,
|
|
'7, 3' : 0.52168905E-05,
|
|
'7, 4' : -0.38545864E+01,
|
|
'7, 5' : -0.21980294E-05,
|
|
'7, 7' : -0.48233670E+01,
|
|
'8, 1' : 0.41773058E-02,
|
|
'8, 2' : 0.11816112E+00,
|
|
'8, 3' : 0.21624373E+00,
|
|
'8, 4' : -0.21980294E-05,
|
|
'8, 5' : -0.37878422E+01,
|
|
'8, 7' : -0.22996493E-05,
|
|
'8, 8' : -0.46910629E+01,
|
|
'9, 6' : -0.38545853E+01,
|
|
'9, 9' : -0.48233599E+01,
|
|
'10, 1' : -0.82281416E+00,
|
|
'10, 2' : -0.51265341E+01,
|
|
'10, 3' : -0.46930286E+01,
|
|
'10, 4' : -0.45608423E-01,
|
|
'10, 5' : 0.10411765E+00,
|
|
'10, 7' : -0.59663192E-01,
|
|
'10, 8' : 0.11018539E+00,
|
|
'10, 10' : -0.69906813E+01,
|
|
'11, 1' : -0.82118771E+00,
|
|
'11, 2' : -0.50576551E+01,
|
|
'11, 3' : -0.46009765E+01,
|
|
'11, 4' : 0.36881715E-05,
|
|
'11, 5' : 0.21034793E+00,
|
|
'11, 7' : 0.30907080E-05,
|
|
'11, 8' : 0.19712840E+00,
|
|
'11, 10' : -0.23019533E+01,
|
|
'11, 11' : -0.67934821E+01,
|
|
'12, 1' : -0.82281417E+00,
|
|
'12, 2' : -0.51265339E+01,
|
|
'12, 3' : -0.46930270E+01,
|
|
'12, 4' : 0.45622460E-01,
|
|
'12, 5' : 0.10411837E+00,
|
|
'12, 7' : 0.59674005E-01,
|
|
'12, 8' : 0.11018541E+00,
|
|
'12, 10' : -0.23302284E+01,
|
|
'12, 11' : -0.23019535E+01,
|
|
'12, 12' : -0.69906792E+01,
|
|
'13, 1' : -0.11941108E-06,
|
|
'13, 2' : -0.46648805E-05,
|
|
'13, 3' : -0.52475344E-05,
|
|
'13, 4' : 0.18033706E+00,
|
|
'13, 5' : 0.63881004E-05,
|
|
'13, 7' : 0.19084669E+00,
|
|
'13, 8' : 0.53532633E-05,
|
|
'13, 10' : 0.38768948E-01,
|
|
'13, 11' : -0.47360167E-05,
|
|
'13, 12' : -0.38778469E-01,
|
|
'13, 13' : -0.69058599E+01,
|
|
'14, 6' : 0.79020419E-01,
|
|
'14, 9' : 0.10335841E+00,
|
|
'14, 14' : -0.69906852E+01,
|
|
'15, 6' : 0.18033830E+00,
|
|
'15, 9' : 0.19084674E+00,
|
|
'15, 14' : -0.67166278E-01,
|
|
'15, 15' : -0.69058606E+01,
|
|
'16, 1' : -0.12635148E+01,
|
|
'16, 2' : -0.25591047E+01,
|
|
'16, 3' : -0.30660605E+01,
|
|
'16, 4' : -0.22346453E+01,
|
|
'16, 5' : 0.98104321E+00,
|
|
'16, 7' : -0.29550680E+01,
|
|
'16, 8' : 0.12895566E+01,
|
|
'16, 10' : -0.31455350E+01,
|
|
'16, 11' : -0.17094100E+01,
|
|
'16, 12' : -0.13908800E+01,
|
|
'16, 13' : 0.13215930E+01,
|
|
'16, 16' : -0.56378799E+01,
|
|
'17, 1' : -0.19022541E+01,
|
|
'17, 2' : -0.33038926E+01,
|
|
'17, 3' : -0.40529968E+01,
|
|
'17, 4' : -0.92953318E+00,
|
|
'17, 5' : 0.47428528E+00,
|
|
'17, 7' : -0.17708250E+01,
|
|
'17, 8' : 0.88081137E+00,
|
|
'17, 10' : -0.27061827E+01,
|
|
'17, 11' : -0.24718171E+01,
|
|
'17, 12' : -0.24605158E+01,
|
|
'17, 13' : 0.20577331E+00,
|
|
'17, 16' : -0.34948024E+01,
|
|
'17, 17' : -0.41730364E+01,
|
|
'18, 1' : 0.23626578E+01,
|
|
'18, 2' : 0.35880327E+01,
|
|
'18, 3' : 0.26854671E+01,
|
|
'18, 4' : 0.27538261E+01,
|
|
'18, 5' : -0.18339025E+01,
|
|
'18, 7' : 0.75218426E+00,
|
|
'18, 8' : -0.11008837E+01,
|
|
'18, 10' : 0.25799250E+01,
|
|
'18, 11' : 0.23740918E+01,
|
|
'18, 12' : 0.17651948E+01,
|
|
'18, 13' : -0.15550127E+01,
|
|
'18, 16' : 0.11751802E+01,
|
|
'18, 17' : 0.10330045E+01,
|
|
'18, 18' : -0.56942511E+01,
|
|
'19, 1' : -0.99863491E+00,
|
|
'19, 2' : -0.14915009E+01,
|
|
'19, 3' : -0.10952649E+01,
|
|
'19, 4' : -0.17675913E+01,
|
|
'19, 5' : -0.70499606E+00,
|
|
'19, 7' : -0.10324375E+01,
|
|
'19, 8' : -0.13264366E+01,
|
|
'19, 10' : -0.21223568E+01,
|
|
'19, 11' : 0.95362539E-01,
|
|
'19, 12' : -0.73008003E+00,
|
|
'19, 13' : -0.11252369E+01,
|
|
'19, 16' : -0.44849741E+00,
|
|
'19, 17' : -0.39140277E+00,
|
|
'19, 18' : 0.34237587E+00,
|
|
'19, 19' : -0.49767919E+01,
|
|
'20, 6' : -0.14793060E+01,
|
|
'20, 9' : -0.17856420E+01,
|
|
'20, 14' : -0.21726543E+01,
|
|
'20, 15' : 0.94882539E+00,
|
|
'20, 20' : -0.48496759E+01,
|
|
'21, 1' : -0.12635939E+01,
|
|
'21, 2' : -0.25592291E+01,
|
|
'21, 3' : -0.30661578E+01,
|
|
'21, 4' : 0.11173872E+01,
|
|
'21, 5' : 0.98109798E+00,
|
|
'21, 6' : -0.19353092E+01,
|
|
'21, 7' : 0.14775782E+01,
|
|
'21, 8' : 0.12895942E+01,
|
|
'21, 9' : -0.25591593E+01,
|
|
'21, 10' : -0.18296378E+01,
|
|
'21, 11' : -0.17094954E+01,
|
|
'21, 12' : -0.27069386E+01,
|
|
'21, 13' : -0.66083914E+00,
|
|
'21, 14' : 0.13160334E+01,
|
|
'21, 15' : 0.11445690E+01,
|
|
'21, 16' : -0.62089103E+00,
|
|
'21, 17' : -0.15849902E+01,
|
|
'21, 18' : 0.81163063E+00,
|
|
'21, 19' : -0.82963221E-01,
|
|
'21, 20' : -0.34871497E+00,
|
|
'21, 21' : -0.56379534E+01,
|
|
'22, 1' : -0.19022870E+01,
|
|
'22, 2' : -0.33039453E+01,
|
|
'22, 3' : -0.40530509E+01,
|
|
'22, 4' : 0.46477939E+00,
|
|
'22, 5' : 0.47429362E+00,
|
|
'22, 6' : -0.80499070E+00,
|
|
'22, 7' : 0.88542764E+00,
|
|
'22, 8' : 0.88082299E+00,
|
|
'22, 9' : -0.15335519E+01,
|
|
'22, 10' : -0.25219747E+01,
|
|
'22, 11' : -0.24718568E+01,
|
|
'22, 12' : -0.26447984E+01,
|
|
'22, 13' : -0.10289334E+00,
|
|
'22, 14' : 0.18424871E+00,
|
|
'22, 15' : 0.17820533E+00,
|
|
'22, 16' : -0.15849751E+01,
|
|
'22, 17' : -0.26970598E+01,
|
|
'22, 18' : 0.12577497E+01,
|
|
'22, 19' : -0.21935838E+00,
|
|
'22, 20' : -0.39858683E+00,
|
|
'22, 21' : -0.34948452E+01,
|
|
'22, 22' : -0.41730694E+01,
|
|
'23, 1' : -0.11814444E+01,
|
|
'23, 2' : -0.17941240E+01,
|
|
'23, 3' : -0.13427919E+01,
|
|
'23, 4' : -0.42104758E+00,
|
|
'23, 5' : 0.91701297E+00,
|
|
'23, 6' : -0.18330686E+01,
|
|
'23, 7' : -0.11512211E+01,
|
|
'23, 8' : 0.55046138E+00,
|
|
'23, 9' : -0.10989173E+01,
|
|
'23, 10' : -0.43655421E-01,
|
|
'23, 11' : -0.11871193E+01,
|
|
'23, 12' : -0.21289635E+01,
|
|
'23, 13' : 0.32288467E+00,
|
|
'23, 14' : -0.63528118E+00,
|
|
'23, 15' : 0.10842271E+01,
|
|
'23, 16' : -0.70782456E+00,
|
|
'23, 17' : -0.97408773E+00,
|
|
'23, 18' : 0.10144297E+01,
|
|
'23, 19' : -0.89066060E-01,
|
|
'23, 20' : -0.57178892E+00,
|
|
'23, 21' : -0.58761825E+00,
|
|
'23, 22' : -0.51652366E+00,
|
|
'23, 23' : -0.50608955E+01,
|
|
'24, 1' : -0.99873267E+00,
|
|
'24, 2' : -0.14915913E+01,
|
|
'24, 3' : -0.10953138E+01,
|
|
'24, 4' : 0.88385651E+00,
|
|
'24, 5' : -0.70504038E+00,
|
|
'24, 6' : -0.15308368E+01,
|
|
'24, 7' : 0.51623781E+00,
|
|
'24, 8' : -0.13264781E+01,
|
|
'24, 9' : -0.89412258E+00,
|
|
'24, 10' : -0.10782171E+01,
|
|
'24, 11' : 0.95366651E-01,
|
|
'24, 12' : -0.17743343E+01,
|
|
'24, 13' : 0.56265252E+00,
|
|
'24, 14' : 0.10442405E+01,
|
|
'24, 15' : -0.97451241E+00,
|
|
'24, 16' : -0.82964757E-01,
|
|
'24, 17' : -0.21936686E+00,
|
|
'24, 18' : 0.12133744E+00,
|
|
'24, 19' : -0.22411713E+00,
|
|
'24, 20' : -0.32789428E-01,
|
|
'24, 21' : -0.44852123E+00,
|
|
'24, 22' : -0.39142089E+00,
|
|
'24, 23' : -0.17120283E+00,
|
|
'24, 24' : -0.49768619E+01,
|
|
'25, 1' : 0.20462599E+01,
|
|
'25, 2' : 0.31074225E+01,
|
|
'25, 3' : 0.23257174E+01,
|
|
'25, 4' : -0.18330720E+01,
|
|
'25, 5' : -0.15882666E+01,
|
|
'25, 6' : 0.16954696E+01,
|
|
'25, 7' : -0.10989206E+01,
|
|
'25, 8' : -0.95340058E+00,
|
|
'25, 9' : 0.11762404E+00,
|
|
'25, 10' : 0.22483361E+01,
|
|
'25, 11' : 0.20560906E+01,
|
|
'25, 12' : 0.15146431E+01,
|
|
'25, 13' : 0.10842303E+01,
|
|
'25, 14' : -0.10722820E+01,
|
|
'25, 15' : -0.92899716E+00,
|
|
'25, 16' : 0.52851853E+00,
|
|
'25, 17' : 0.88993916E+00,
|
|
'25, 18' : -0.87284530E+00,
|
|
'25, 19' : 0.88683408E-01,
|
|
'25, 20' : 0.18032156E+00,
|
|
'25, 21' : 0.10177584E+01,
|
|
'25, 22' : 0.89462233E+00,
|
|
'25, 23' : 0.36573069E+00,
|
|
'25, 24' : 0.29652301E+00,
|
|
'25, 25' : -0.54831823E+01,
|
|
'26, 1' : -0.12635939E+01,
|
|
'26, 2' : -0.25592291E+01,
|
|
'26, 3' : -0.30661578E+01,
|
|
'26, 4' : 0.11173872E+01,
|
|
'26, 5' : 0.98109798E+00,
|
|
'26, 6' : 0.19353092E+01,
|
|
'26, 7' : 0.14775782E+01,
|
|
'26, 8' : 0.12895942E+01,
|
|
'26, 9' : 0.25591593E+01,
|
|
'26, 10' : -0.18296378E+01,
|
|
'26, 11' : -0.17094954E+01,
|
|
'26, 12' : -0.27069386E+01,
|
|
'26, 13' : -0.66083914E+00,
|
|
'26, 14' : -0.13160334E+01,
|
|
'26, 15' : -0.11445690E+01,
|
|
'26, 16' : -0.62089103E+00,
|
|
'26, 17' : -0.15849902E+01,
|
|
'26, 18' : 0.81163063E+00,
|
|
'26, 19' : -0.82963221E-01,
|
|
'26, 20' : 0.34871497E+00,
|
|
'26, 21' : -0.62095199E+00,
|
|
'26, 22' : -0.15850512E+01,
|
|
'26, 23' : -0.10382153E+00,
|
|
'26, 24' : -0.82972551E-01,
|
|
'26, 25' : 0.87733640E+00,
|
|
'26, 26' : -0.56379534E+01,
|
|
'27, 1' : -0.19022870E+01,
|
|
'27, 2' : -0.33039453E+01,
|
|
'27, 3' : -0.40530509E+01,
|
|
'27, 4' : 0.46477939E+00,
|
|
'27, 5' : 0.47429362E+00,
|
|
'27, 6' : 0.80499070E+00,
|
|
'27, 7' : 0.88542764E+00,
|
|
'27, 8' : 0.88082299E+00,
|
|
'27, 9' : 0.15335519E+01,
|
|
'27, 10' : -0.25219747E+01,
|
|
'27, 11' : -0.24718568E+01,
|
|
'27, 12' : -0.26447984E+01,
|
|
'27, 13' : -0.10289334E+00,
|
|
'27, 14' : -0.18424871E+00,
|
|
'27, 15' : -0.17820533E+00,
|
|
'27, 16' : -0.15849751E+01,
|
|
'27, 17' : -0.26970598E+01,
|
|
'27, 18' : 0.12577497E+01,
|
|
'27, 19' : -0.21935838E+00,
|
|
'27, 20' : 0.39858683E+00,
|
|
'27, 21' : -0.15850512E+01,
|
|
'27, 22' : -0.26971259E+01,
|
|
'27, 23' : -0.28369713E+00,
|
|
'27, 24' : -0.21937402E+00,
|
|
'27, 25' : 0.12885805E+01,
|
|
'27, 26' : -0.34948452E+01,
|
|
'27, 27' : -0.41730694E+01,
|
|
'28, 1' : -0.11814444E+01,
|
|
'28, 2' : -0.17941240E+01,
|
|
'28, 3' : -0.13427919E+01,
|
|
'28, 4' : -0.42104758E+00,
|
|
'28, 5' : 0.91701297E+00,
|
|
'28, 6' : 0.18330686E+01,
|
|
'28, 7' : -0.11512211E+01,
|
|
'28, 8' : 0.55046138E+00,
|
|
'28, 9' : 0.10989173E+01,
|
|
'28, 10' : -0.43655421E-01,
|
|
'28, 11' : -0.11871193E+01,
|
|
'28, 12' : -0.21289635E+01,
|
|
'28, 13' : 0.32288467E+00,
|
|
'28, 14' : 0.63528118E+00,
|
|
'28, 15' : -0.10842271E+01,
|
|
'28, 16' : -0.70782456E+00,
|
|
'28, 17' : -0.97408773E+00,
|
|
'28, 18' : 0.10144297E+01,
|
|
'28, 19' : -0.89066060E-01,
|
|
'28, 20' : 0.57178892E+00,
|
|
'28, 21' : -0.10382153E+00,
|
|
'28, 22' : -0.28369713E+00,
|
|
'28, 23' : -0.23673303E+00,
|
|
'28, 24' : -0.32275391E-01,
|
|
'28, 25' : 0.15054777E+00,
|
|
'28, 26' : -0.58761825E+00,
|
|
'28, 27' : -0.51652366E+00,
|
|
'28, 28' : -0.50608955E+01,
|
|
'29, 1' : -0.99873267E+00,
|
|
'29, 2' : -0.14915913E+01,
|
|
'29, 3' : -0.10953138E+01,
|
|
'29, 4' : 0.88385651E+00,
|
|
'29, 5' : -0.70504038E+00,
|
|
'29, 6' : 0.15308368E+01,
|
|
'29, 7' : 0.51623781E+00,
|
|
'29, 8' : -0.13264781E+01,
|
|
'29, 9' : 0.89412258E+00,
|
|
'29, 10' : -0.10782171E+01,
|
|
'29, 11' : 0.95366651E-01,
|
|
'29, 12' : -0.17743343E+01,
|
|
'29, 13' : 0.56265252E+00,
|
|
'29, 14' : -0.10442405E+01,
|
|
'29, 15' : 0.97451241E+00,
|
|
'29, 16' : -0.82964757E-01,
|
|
'29, 17' : -0.21936686E+00,
|
|
'29, 18' : 0.12133744E+00,
|
|
'29, 19' : -0.22411713E+00,
|
|
'29, 20' : 0.32789428E-01,
|
|
'29, 21' : -0.82972551E-01,
|
|
'29, 22' : -0.21937402E+00,
|
|
'29, 23' : -0.32275391E-01,
|
|
'29, 24' : -0.22415055E+00,
|
|
'29, 25' : 0.12148889E+00,
|
|
'29, 26' : -0.44852123E+00,
|
|
'29, 27' : -0.39142089E+00,
|
|
'29, 28' : -0.17120283E+00,
|
|
'29, 29' : -0.49768619E+01,
|
|
'30, 1' : -0.20462599E+01,
|
|
'30, 2' : -0.31074225E+01,
|
|
'30, 3' : -0.23257174E+01,
|
|
'30, 4' : 0.18330720E+01,
|
|
'30, 5' : 0.15882666E+01,
|
|
'30, 6' : 0.16954696E+01,
|
|
'30, 7' : 0.10989206E+01,
|
|
'30, 8' : 0.95340058E+00,
|
|
'30, 9' : 0.11762404E+00,
|
|
'30, 10' : -0.22483361E+01,
|
|
'30, 11' : -0.20560906E+01,
|
|
'30, 12' : -0.15146431E+01,
|
|
'30, 13' : -0.10842303E+01,
|
|
'30, 14' : -0.10722820E+01,
|
|
'30, 15' : -0.92899716E+00,
|
|
'30, 16' : -0.52851853E+00,
|
|
'30, 17' : -0.88993916E+00,
|
|
'30, 18' : 0.87284530E+00,
|
|
'30, 19' : -0.88683408E-01,
|
|
'30, 20' : 0.18032156E+00,
|
|
'30, 21' : -0.87733640E+00,
|
|
'30, 22' : -0.12885805E+01,
|
|
'30, 23' : -0.15054777E+00,
|
|
'30, 24' : -0.12148889E+00,
|
|
'30, 25' : 0.14315878E+01,
|
|
'30, 26' : -0.10177584E+01,
|
|
'30, 27' : -0.89462233E+00,
|
|
'30, 28' : -0.36573069E+00,
|
|
'30, 29' : -0.29652301E+00,
|
|
'30, 30' : -0.54831823E+01,
|
|
},
|
|
'NH3+.ezfio' : {
|
|
'1, 1' : -0.48302330E+02,
|
|
'2, 1' : -0.31615582E+01,
|
|
'2, 2' : -0.94798331E+01,
|
|
'3, 1' : -0.46396386E+01,
|
|
'3, 2' : -0.67635628E+01,
|
|
'3, 3' : -0.67383309E+01,
|
|
'4, 4' : -0.10277428E+02,
|
|
'5, 5' : -0.10412858E+02,
|
|
'6, 1' : 0.20715068E-05,
|
|
'6, 2' : 0.13808609E-04,
|
|
'6, 3' : 0.13113839E-04,
|
|
'6, 6' : -0.10412876E+02,
|
|
'7, 4' : -0.37455949E+01,
|
|
'7, 7' : -0.46122977E+01,
|
|
'8, 5' : -0.38660162E+01,
|
|
'8, 8' : -0.48551908E+01,
|
|
'9, 1' : 0.32183215E-06,
|
|
'9, 2' : 0.92213821E-05,
|
|
'9, 3' : 0.17339645E-04,
|
|
'9, 6' : -0.38660318E+01,
|
|
'9, 9' : -0.48552217E+01,
|
|
'10, 1' : -0.81954012E+00,
|
|
'10, 2' : -0.50122362E+01,
|
|
'10, 3' : -0.45433487E+01,
|
|
'10, 6' : 0.51325452E-05,
|
|
'10, 9' : 0.47342733E-05,
|
|
'10, 10' : -0.67081758E+01,
|
|
'11, 1' : -0.82244431E+00,
|
|
'11, 2' : -0.51356636E+01,
|
|
'11, 3' : -0.47094330E+01,
|
|
'11, 6' : 0.56677222E-01,
|
|
'11, 9' : 0.75125472E-01,
|
|
'11, 10' : -0.22735888E+01,
|
|
'11, 11' : -0.70402032E+01,
|
|
'12, 1' : -0.82244469E+00,
|
|
'12, 2' : -0.51356797E+01,
|
|
'12, 3' : -0.47094545E+01,
|
|
'12, 6' : -0.56649919E-01,
|
|
'12, 9' : -0.75097307E-01,
|
|
'12, 10' : -0.22735937E+01,
|
|
'12, 11' : -0.23467483E+01,
|
|
'12, 12' : -0.70402510E+01,
|
|
'13, 13' : -0.68207665E+01,
|
|
'14, 4' : 0.88898290E-05,
|
|
'14, 7' : 0.82000019E-05,
|
|
'14, 14' : -0.68207810E+01,
|
|
'15, 5' : 0.98167829E-01,
|
|
'15, 8' : 0.13012113E+00,
|
|
'15, 15' : -0.70402449E+01,
|
|
'16, 1' : -0.12235687E+01,
|
|
'16, 2' : -0.24793587E+01,
|
|
'16, 3' : -0.29894693E+01,
|
|
'16, 6' : -0.23725861E+01,
|
|
'16, 9' : -0.31732917E+01,
|
|
'16, 10' : -0.13298330E+01,
|
|
'16, 11' : -0.13471921E+01,
|
|
'16, 12' : -0.33883245E+01,
|
|
'16, 16' : -0.55484416E+01,
|
|
'17, 1' : -0.18846066E+01,
|
|
'17, 2' : -0.32624096E+01,
|
|
'17, 3' : -0.39980390E+01,
|
|
'17, 6' : -0.10113318E+01,
|
|
'17, 9' : -0.19305558E+01,
|
|
'17, 10' : -0.23623793E+01,
|
|
'17, 11' : -0.24354215E+01,
|
|
'17, 12' : -0.27333052E+01,
|
|
'17, 16' : -0.34374486E+01,
|
|
'17, 17' : -0.41121847E+01,
|
|
'18, 4' : -0.14092953E+01,
|
|
'18, 7' : -0.17236197E+01,
|
|
'18, 14' : -0.22868466E+01,
|
|
'18, 18' : -0.47556006E+01,
|
|
'19, 5' : -0.14197195E+01,
|
|
'19, 8' : -0.17366274E+01,
|
|
'19, 15' : -0.22966685E+01,
|
|
'19, 19' : -0.47690959E+01,
|
|
'20, 1' : 0.24638861E+01,
|
|
'20, 2' : 0.37797677E+01,
|
|
'20, 3' : 0.28403075E+01,
|
|
'20, 6' : 0.34647864E+01,
|
|
'20, 9' : 0.12197405E+01,
|
|
'20, 10' : 0.18345616E+01,
|
|
'20, 11' : 0.18539347E+01,
|
|
'20, 12' : 0.34311087E+01,
|
|
'20, 16' : 0.12277962E+01,
|
|
'20, 17' : 0.10810179E+01,
|
|
'20, 20' : -0.57274744E+01,
|
|
'21, 1' : -0.12235617E+01,
|
|
'21, 2' : -0.24793521E+01,
|
|
'21, 3' : -0.29894680E+01,
|
|
'21, 5' : -0.20546506E+01,
|
|
'21, 6' : 0.11864086E+01,
|
|
'21, 8' : -0.27480669E+01,
|
|
'21, 9' : 0.15868048E+01,
|
|
'21, 10' : -0.13298294E+01,
|
|
'21, 11' : -0.28779394E+01,
|
|
'21, 12' : -0.18575737E+01,
|
|
'21, 15' : 0.15309471E+01,
|
|
'21, 16' : -0.41803029E+00,
|
|
'21, 17' : -0.13297870E+01,
|
|
'21, 19' : -0.22835979E+00,
|
|
'21, 20' : 0.55857884E+00,
|
|
'21, 21' : -0.55484494E+01,
|
|
'22, 1' : -0.18846037E+01,
|
|
'22, 2' : -0.32624080E+01,
|
|
'22, 3' : -0.39980413E+01,
|
|
'22, 5' : -0.87581475E+00,
|
|
'22, 6' : 0.50572463E+00,
|
|
'22, 8' : -0.16718635E+01,
|
|
'22, 9' : 0.96538928E+00,
|
|
'22, 10' : -0.23623776E+01,
|
|
'22, 11' : -0.26588152E+01,
|
|
'22, 12' : -0.25099149E+01,
|
|
'22, 15' : 0.22342164E+00,
|
|
'22, 16' : -0.13297857E+01,
|
|
'22, 17' : -0.24290612E+01,
|
|
'22, 19' : -0.35775267E+00,
|
|
'22, 20' : 0.11489425E+01,
|
|
'22, 21' : -0.34374546E+01,
|
|
'22, 22' : -0.41121941E+01,
|
|
'23, 4' : -0.14092892E+01,
|
|
'23, 7' : -0.17236189E+01,
|
|
'23, 13' : -0.19804003E+01,
|
|
'23, 14' : 0.11435328E+01,
|
|
'23, 18' : -0.10327003E+00,
|
|
'23, 23' : -0.47556085E+01,
|
|
'24, 1' : 0.21337047E+01,
|
|
'24, 2' : 0.32732654E+01,
|
|
'24, 3' : 0.24597022E+01,
|
|
'24, 5' : 0.22434288E+01,
|
|
'24, 6' : -0.21151918E+01,
|
|
'24, 8' : 0.48051435E+00,
|
|
'24, 9' : -0.12802356E+01,
|
|
'24, 10' : 0.15887232E+01,
|
|
'24, 11' : 0.20555572E+01,
|
|
'24, 12' : 0.25212904E+01,
|
|
'24, 15' : -0.15985573E+01,
|
|
'24, 16' : 0.36953775E+00,
|
|
'24, 17' : 0.81608990E+00,
|
|
'24, 19' : 0.13743423E+00,
|
|
'24, 20' : -0.59342173E+00,
|
|
'24, 21' : 0.10632710E+01,
|
|
'24, 22' : 0.93616189E+00,
|
|
'24, 24' : -0.54878426E+01,
|
|
'25, 1' : -0.12320516E+01,
|
|
'25, 2' : -0.18900571E+01,
|
|
'25, 3' : -0.14202841E+01,
|
|
'25, 5' : -0.21151831E+01,
|
|
'25, 6' : -0.19835516E+00,
|
|
'25, 8' : -0.12802257E+01,
|
|
'25, 9' : -0.99739421E+00,
|
|
'25, 10' : -0.91736485E+00,
|
|
'25, 11' : -0.25130302E+01,
|
|
'25, 12' : -0.12973861E+00,
|
|
'25, 15' : -0.40272466E+00,
|
|
'25, 16' : -0.47707474E+00,
|
|
'25, 17' : -0.88433742E+00,
|
|
'25, 19' : -0.35785889E+00,
|
|
'25, 20' : 0.68672497E+00,
|
|
'25, 21' : -0.61395029E+00,
|
|
'25, 22' : -0.54055493E+00,
|
|
'25, 24' : 0.41501243E+00,
|
|
'25, 25' : -0.50087430E+01,
|
|
'26, 1' : -0.12235617E+01,
|
|
'26, 2' : -0.24793521E+01,
|
|
'26, 3' : -0.29894680E+01,
|
|
'26, 5' : 0.20546506E+01,
|
|
'26, 6' : 0.11864086E+01,
|
|
'26, 8' : 0.27480669E+01,
|
|
'26, 9' : 0.15868048E+01,
|
|
'26, 10' : -0.13298294E+01,
|
|
'26, 11' : -0.28779394E+01,
|
|
'26, 12' : -0.18575737E+01,
|
|
'26, 15' : -0.15309471E+01,
|
|
'26, 16' : -0.41803029E+00,
|
|
'26, 17' : -0.13297870E+01,
|
|
'26, 19' : 0.22835979E+00,
|
|
'26, 20' : 0.55857884E+00,
|
|
'26, 21' : -0.41811468E+00,
|
|
'26, 22' : -0.13299023E+01,
|
|
'26, 24' : 0.59804252E+00,
|
|
'26, 25' : -0.81530943E-01,
|
|
'26, 26' : -0.55484494E+01,
|
|
'27, 1' : -0.18846037E+01,
|
|
'27, 2' : -0.32624080E+01,
|
|
'27, 3' : -0.39980413E+01,
|
|
'27, 5' : 0.87581475E+00,
|
|
'27, 6' : 0.50572463E+00,
|
|
'27, 8' : 0.16718635E+01,
|
|
'27, 9' : 0.96538928E+00,
|
|
'27, 10' : -0.23623776E+01,
|
|
'27, 11' : -0.26588152E+01,
|
|
'27, 12' : -0.25099149E+01,
|
|
'27, 15' : -0.22342164E+00,
|
|
'27, 16' : -0.13297857E+01,
|
|
'27, 17' : -0.24290612E+01,
|
|
'27, 19' : 0.35775267E+00,
|
|
'27, 20' : 0.11489425E+01,
|
|
'27, 21' : -0.13299023E+01,
|
|
'27, 22' : -0.24291828E+01,
|
|
'27, 24' : 0.11739448E+01,
|
|
'27, 25' : -0.26466808E+00,
|
|
'27, 26' : -0.34374546E+01,
|
|
'27, 27' : -0.41121941E+01,
|
|
'28, 4' : -0.14092892E+01,
|
|
'28, 7' : -0.17236189E+01,
|
|
'28, 13' : 0.19804003E+01,
|
|
'28, 14' : 0.11435328E+01,
|
|
'28, 18' : -0.10327003E+00,
|
|
'28, 23' : -0.10330551E+00,
|
|
'28, 28' : -0.47556085E+01,
|
|
'29, 1' : -0.21337047E+01,
|
|
'29, 2' : -0.32732654E+01,
|
|
'29, 3' : -0.24597022E+01,
|
|
'29, 5' : 0.22434288E+01,
|
|
'29, 6' : 0.21151918E+01,
|
|
'29, 8' : 0.48051435E+00,
|
|
'29, 9' : 0.12802356E+01,
|
|
'29, 10' : -0.15887232E+01,
|
|
'29, 11' : -0.20555572E+01,
|
|
'29, 12' : -0.25212904E+01,
|
|
'29, 15' : -0.15985573E+01,
|
|
'29, 16' : -0.36953775E+00,
|
|
'29, 17' : -0.81608990E+00,
|
|
'29, 19' : 0.13743423E+00,
|
|
'29, 20' : 0.59342173E+00,
|
|
'29, 21' : -0.59804252E+00,
|
|
'29, 22' : -0.11739448E+01,
|
|
'29, 24' : 0.96152001E+00,
|
|
'29, 25' : -0.11781480E+00,
|
|
'29, 26' : -0.10632710E+01,
|
|
'29, 27' : -0.93616189E+00,
|
|
'29, 29' : -0.54878426E+01,
|
|
'30, 1' : -0.12320516E+01,
|
|
'30, 2' : -0.18900571E+01,
|
|
'30, 3' : -0.14202841E+01,
|
|
'30, 5' : 0.21151831E+01,
|
|
'30, 6' : -0.19835516E+00,
|
|
'30, 8' : 0.12802257E+01,
|
|
'30, 9' : -0.99739421E+00,
|
|
'30, 10' : -0.91736485E+00,
|
|
'30, 11' : -0.25130302E+01,
|
|
'30, 12' : -0.12973861E+00,
|
|
'30, 15' : 0.40272466E+00,
|
|
'30, 16' : -0.47707474E+00,
|
|
'30, 17' : -0.88433742E+00,
|
|
'30, 19' : 0.35785889E+00,
|
|
'30, 20' : 0.68672497E+00,
|
|
'30, 21' : -0.81530943E-01,
|
|
'30, 22' : -0.26466808E+00,
|
|
'30, 24' : 0.11781480E+00,
|
|
'30, 25' : -0.13720923E+00,
|
|
'30, 26' : -0.61395029E+00,
|
|
'30, 27' : -0.54055493E+00,
|
|
'30, 29' : -0.41501243E+00,
|
|
'30, 30' : -0.50087430E+01,
|
|
},
|
|
'NH4+.ezfio' : {
|
|
'1, 1' : -0.48816031E+02,
|
|
'2, 1' : -0.32727304E+01,
|
|
'2, 2' : -0.99930579E+01,
|
|
'3, 1' : -0.47329924E+01,
|
|
'3, 2' : -0.71691642E+01,
|
|
'3, 3' : -0.72186920E+01,
|
|
'4, 4' : -0.10880633E+02,
|
|
'5, 5' : -0.10880633E+02,
|
|
'6, 6' : -0.10880633E+02,
|
|
'7, 4' : -0.40890828E+01,
|
|
'7, 7' : -0.52051416E+01,
|
|
'8, 5' : -0.40890828E+01,
|
|
'8, 8' : -0.52051416E+01,
|
|
'9, 6' : -0.40890828E+01,
|
|
'9, 9' : -0.52051416E+01,
|
|
'10, 1' : -0.84930253E+00,
|
|
'10, 2' : -0.54231537E+01,
|
|
'10, 3' : -0.49944886E+01,
|
|
'10, 10' : -0.73912189E+01,
|
|
'11, 1' : -0.84930253E+00,
|
|
'11, 2' : -0.54231537E+01,
|
|
'11, 3' : -0.49944886E+01,
|
|
'11, 10' : -0.24918600E+01,
|
|
'11, 11' : -0.73912189E+01,
|
|
'12, 1' : -0.84930253E+00,
|
|
'12, 2' : -0.54231537E+01,
|
|
'12, 3' : -0.49944886E+01,
|
|
'12, 10' : -0.24918600E+01,
|
|
'12, 11' : -0.24918600E+01,
|
|
'12, 12' : -0.73912189E+01,
|
|
'13, 6' : -0.10066678E+00,
|
|
'13, 9' : -0.13348340E+00,
|
|
'13, 13' : -0.74755799E+01,
|
|
'14, 5' : -0.10066678E+00,
|
|
'14, 8' : -0.13348340E+00,
|
|
'14, 14' : -0.74755799E+01,
|
|
'15, 4' : -0.10066678E+00,
|
|
'15, 7' : -0.13348340E+00,
|
|
'15, 15' : -0.74755799E+01,
|
|
'16, 1' : -0.12478336E+01,
|
|
'16, 2' : -0.26214822E+01,
|
|
'16, 3' : -0.31835590E+01,
|
|
'16, 4' : -0.14477993E+01,
|
|
'16, 5' : -0.14477993E+01,
|
|
'16, 6' : -0.14477993E+01,
|
|
'16, 7' : -0.19563214E+01,
|
|
'16, 8' : -0.19563214E+01,
|
|
'16, 9' : -0.19563214E+01,
|
|
'16, 10' : -0.21535905E+01,
|
|
'16, 11' : -0.21535905E+01,
|
|
'16, 12' : -0.21535905E+01,
|
|
'16, 13' : -0.12463412E+01,
|
|
'16, 14' : -0.12463412E+01,
|
|
'16, 15' : -0.12463412E+01,
|
|
'16, 16' : -0.58982585E+01,
|
|
'17, 1' : -0.19226535E+01,
|
|
'17, 2' : -0.34647644E+01,
|
|
'17, 3' : -0.43019246E+01,
|
|
'17, 4' : -0.61891332E+00,
|
|
'17, 5' : -0.61891332E+00,
|
|
'17, 6' : -0.61891332E+00,
|
|
'17, 7' : -0.12000214E+01,
|
|
'17, 8' : -0.12000214E+01,
|
|
'17, 9' : -0.12000214E+01,
|
|
'17, 10' : -0.26983215E+01,
|
|
'17, 11' : -0.26983215E+01,
|
|
'17, 12' : -0.26983215E+01,
|
|
'17, 13' : -0.17939108E+00,
|
|
'17, 14' : -0.17939108E+00,
|
|
'17, 15' : -0.17939108E+00,
|
|
'17, 16' : -0.36768340E+01,
|
|
'17, 17' : -0.44485509E+01,
|
|
'18, 1' : 0.14501809E+01,
|
|
'18, 2' : 0.23002812E+01,
|
|
'18, 3' : 0.17337061E+01,
|
|
'18, 4' : 0.21312687E+00,
|
|
'18, 5' : 0.17183697E+01,
|
|
'18, 6' : 0.17183697E+01,
|
|
'18, 7' : -0.81218458E+00,
|
|
'18, 8' : 0.10514453E+01,
|
|
'18, 9' : 0.10514453E+01,
|
|
'18, 10' : 0.36536341E+00,
|
|
'18, 11' : 0.20017556E+01,
|
|
'18, 12' : 0.20017556E+01,
|
|
'18, 13' : 0.85467628E-01,
|
|
'18, 14' : 0.85467628E-01,
|
|
'18, 15' : 0.14948074E+01,
|
|
'18, 16' : 0.74130452E+00,
|
|
'18, 17' : 0.65457961E+00,
|
|
'18, 18' : -0.54338826E+01,
|
|
'19, 1' : 0.14501809E+01,
|
|
'19, 2' : 0.23002812E+01,
|
|
'19, 3' : 0.17337061E+01,
|
|
'19, 4' : 0.17183697E+01,
|
|
'19, 5' : 0.21312687E+00,
|
|
'19, 6' : 0.17183697E+01,
|
|
'19, 7' : 0.10514453E+01,
|
|
'19, 8' : -0.81218458E+00,
|
|
'19, 9' : 0.10514453E+01,
|
|
'19, 10' : 0.20017556E+01,
|
|
'19, 11' : 0.36536341E+00,
|
|
'19, 12' : 0.20017556E+01,
|
|
'19, 13' : 0.85467628E-01,
|
|
'19, 14' : 0.14948074E+01,
|
|
'19, 15' : 0.85467628E-01,
|
|
'19, 16' : 0.74130452E+00,
|
|
'19, 17' : 0.65457961E+00,
|
|
'19, 18' : -0.32635660E+00,
|
|
'19, 19' : -0.54338826E+01,
|
|
'20, 1' : 0.14501809E+01,
|
|
'20, 2' : 0.23002812E+01,
|
|
'20, 3' : 0.17337061E+01,
|
|
'20, 4' : 0.17183697E+01,
|
|
'20, 5' : 0.17183697E+01,
|
|
'20, 6' : 0.21312687E+00,
|
|
'20, 7' : 0.10514453E+01,
|
|
'20, 8' : 0.10514453E+01,
|
|
'20, 9' : -0.81218458E+00,
|
|
'20, 10' : 0.20017556E+01,
|
|
'20, 11' : 0.20017556E+01,
|
|
'20, 12' : 0.36536341E+00,
|
|
'20, 13' : 0.14948074E+01,
|
|
'20, 14' : 0.85467628E-01,
|
|
'20, 15' : 0.85467628E-01,
|
|
'20, 16' : 0.74130452E+00,
|
|
'20, 17' : 0.65457961E+00,
|
|
'20, 18' : -0.32635660E+00,
|
|
'20, 19' : -0.32635660E+00,
|
|
'20, 20' : -0.54338826E+01,
|
|
'21, 1' : -0.12478336E+01,
|
|
'21, 2' : -0.26214822E+01,
|
|
'21, 3' : -0.31835590E+01,
|
|
'21, 4' : 0.14477993E+01,
|
|
'21, 5' : 0.14477993E+01,
|
|
'21, 6' : -0.14477993E+01,
|
|
'21, 7' : 0.19563214E+01,
|
|
'21, 8' : 0.19563214E+01,
|
|
'21, 9' : -0.19563214E+01,
|
|
'21, 10' : -0.21535905E+01,
|
|
'21, 11' : -0.21535905E+01,
|
|
'21, 12' : -0.21535905E+01,
|
|
'21, 13' : -0.12463412E+01,
|
|
'21, 14' : 0.12463412E+01,
|
|
'21, 15' : 0.12463412E+01,
|
|
'21, 16' : -0.56483858E+00,
|
|
'21, 17' : -0.15724291E+01,
|
|
'21, 18' : 0.56471464E+00,
|
|
'21, 19' : 0.56471464E+00,
|
|
'21, 20' : 0.11574967E+00,
|
|
'21, 21' : -0.58982585E+01,
|
|
'22, 1' : -0.19226535E+01,
|
|
'22, 2' : -0.34647644E+01,
|
|
'22, 3' : -0.43019246E+01,
|
|
'22, 4' : 0.61891332E+00,
|
|
'22, 5' : 0.61891332E+00,
|
|
'22, 6' : -0.61891332E+00,
|
|
'22, 7' : 0.12000214E+01,
|
|
'22, 8' : 0.12000214E+01,
|
|
'22, 9' : -0.12000214E+01,
|
|
'22, 10' : -0.26983215E+01,
|
|
'22, 11' : -0.26983215E+01,
|
|
'22, 12' : -0.26983215E+01,
|
|
'22, 13' : -0.17939108E+00,
|
|
'22, 14' : 0.17939108E+00,
|
|
'22, 15' : 0.17939108E+00,
|
|
'22, 16' : -0.15724291E+01,
|
|
'22, 17' : -0.27806692E+01,
|
|
'22, 18' : 0.91997177E+00,
|
|
'22, 19' : 0.91997177E+00,
|
|
'22, 20' : 0.34248696E+00,
|
|
'22, 21' : -0.36768340E+01,
|
|
'22, 22' : -0.44485509E+01,
|
|
'23, 1' : -0.14501809E+01,
|
|
'23, 2' : -0.23002812E+01,
|
|
'23, 3' : -0.17337061E+01,
|
|
'23, 4' : 0.21312687E+00,
|
|
'23, 5' : 0.17183697E+01,
|
|
'23, 6' : -0.17183697E+01,
|
|
'23, 7' : -0.81218458E+00,
|
|
'23, 8' : 0.10514453E+01,
|
|
'23, 9' : -0.10514453E+01,
|
|
'23, 10' : -0.36536341E+00,
|
|
'23, 11' : -0.20017556E+01,
|
|
'23, 12' : -0.20017556E+01,
|
|
'23, 13' : -0.85467628E-01,
|
|
'23, 14' : 0.85467628E-01,
|
|
'23, 15' : 0.14948074E+01,
|
|
'23, 16' : -0.56471464E+00,
|
|
'23, 17' : -0.91997177E+00,
|
|
'23, 18' : 0.56537442E+00,
|
|
'23, 19' : 0.73168954E+00,
|
|
'23, 20' : 0.11764617E+00,
|
|
'23, 21' : -0.74130452E+00,
|
|
'23, 22' : -0.65457961E+00,
|
|
'23, 23' : -0.54338826E+01,
|
|
'24, 1' : -0.14501809E+01,
|
|
'24, 2' : -0.23002812E+01,
|
|
'24, 3' : -0.17337061E+01,
|
|
'24, 4' : 0.17183697E+01,
|
|
'24, 5' : 0.21312687E+00,
|
|
'24, 6' : -0.17183697E+01,
|
|
'24, 7' : 0.10514453E+01,
|
|
'24, 8' : -0.81218458E+00,
|
|
'24, 9' : -0.10514453E+01,
|
|
'24, 10' : -0.20017556E+01,
|
|
'24, 11' : -0.36536341E+00,
|
|
'24, 12' : -0.20017556E+01,
|
|
'24, 13' : -0.85467628E-01,
|
|
'24, 14' : 0.14948074E+01,
|
|
'24, 15' : 0.85467628E-01,
|
|
'24, 16' : -0.56471464E+00,
|
|
'24, 17' : -0.91997177E+00,
|
|
'24, 18' : 0.73168954E+00,
|
|
'24, 19' : 0.56537442E+00,
|
|
'24, 20' : 0.11764617E+00,
|
|
'24, 21' : -0.74130452E+00,
|
|
'24, 22' : -0.65457961E+00,
|
|
'24, 23' : -0.32635660E+00,
|
|
'24, 24' : -0.54338826E+01,
|
|
'25, 1' : 0.14501809E+01,
|
|
'25, 2' : 0.23002812E+01,
|
|
'25, 3' : 0.17337061E+01,
|
|
'25, 4' : -0.17183697E+01,
|
|
'25, 5' : -0.17183697E+01,
|
|
'25, 6' : 0.21312687E+00,
|
|
'25, 7' : -0.10514453E+01,
|
|
'25, 8' : -0.10514453E+01,
|
|
'25, 9' : -0.81218458E+00,
|
|
'25, 10' : 0.20017556E+01,
|
|
'25, 11' : 0.20017556E+01,
|
|
'25, 12' : 0.36536341E+00,
|
|
'25, 13' : 0.14948074E+01,
|
|
'25, 14' : -0.85467628E-01,
|
|
'25, 15' : -0.85467628E-01,
|
|
'25, 16' : 0.11574967E+00,
|
|
'25, 17' : 0.34248696E+00,
|
|
'25, 18' : -0.11764617E+00,
|
|
'25, 19' : -0.11764617E+00,
|
|
'25, 20' : -0.21946531E+00,
|
|
'25, 21' : 0.74130452E+00,
|
|
'25, 22' : 0.65457961E+00,
|
|
'25, 23' : 0.32635660E+00,
|
|
'25, 24' : 0.32635660E+00,
|
|
'25, 25' : -0.54338826E+01,
|
|
'26, 1' : -0.12478336E+01,
|
|
'26, 2' : -0.26214822E+01,
|
|
'26, 3' : -0.31835590E+01,
|
|
'26, 4' : 0.14477993E+01,
|
|
'26, 5' : -0.14477993E+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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|
|
'35, 35' : -0.54338826E+01,
|
|
},
|
|
'NH-.ezfio' : {
|
|
'1, 1' : -0.47254480E+02,
|
|
'2, 1' : -0.29347882E+01,
|
|
'2, 2' : -0.84331433E+01,
|
|
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|
|
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|
|
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|
|
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|
|
'5, 5' : -0.92947308E+01,
|
|
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|
|
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|
|
'6, 3' : 0.13293805E+00,
|
|
'6, 6' : -0.93758726E+01,
|
|
'7, 4' : -0.32655129E+01,
|
|
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|
|
'8, 5' : -0.32655129E+01,
|
|
'8, 8' : -0.38512858E+01,
|
|
'9, 1' : 0.32458002E-02,
|
|
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|
|
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|
|
'9, 6' : -0.33398472E+01,
|
|
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|
|
'10, 1' : -0.76414134E+00,
|
|
'10, 2' : -0.43998391E+01,
|
|
'10, 3' : -0.39273050E+01,
|
|
'10, 6' : 0.52292963E-01,
|
|
'10, 9' : 0.48615438E-01,
|
|
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|
|
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|
|
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|
|
'11, 3' : -0.39273050E+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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'30, 3' : -0.14632983E+01,
|
|
'30, 6' : -0.26714272E+00,
|
|
'30, 9' : -0.37603410E+01,
|
|
'30, 10' : -0.81704578E-01,
|
|
'30, 11' : -0.24511373E+00,
|
|
'30, 12' : -0.44022219E+00,
|
|
'30, 16' : -0.16775575E+00,
|
|
'30, 17' : -0.30106341E+01,
|
|
'30, 18' : -0.10291974E+02,
|
|
'30, 19' : -0.96140771E+01,
|
|
'30, 22' : 0.31847689E-01,
|
|
'30, 25' : 0.27366817E+00,
|
|
'30, 28' : 0.23996105E+00,
|
|
'30, 29' : -0.45347315E+01,
|
|
'30, 30' : -0.13604195E+02,
|
|
'31, 1' : -0.61441111E+00,
|
|
'31, 2' : -0.25209434E+01,
|
|
'31, 3' : -0.45401767E+01,
|
|
'31, 6' : -0.31981355E+01,
|
|
'31, 9' : -0.67855357E+01,
|
|
'31, 10' : -0.14083870E+01,
|
|
'31, 11' : -0.14083870E+01,
|
|
'31, 12' : -0.46698764E+01,
|
|
'31, 16' : -0.16782970E+00,
|
|
'31, 17' : -0.30237972E+01,
|
|
'31, 18' : -0.10559380E+02,
|
|
'31, 19' : -0.99766952E+01,
|
|
'31, 22' : 0.10470099E+00,
|
|
'31, 25' : 0.10363814E+01,
|
|
'31, 28' : 0.10241918E+01,
|
|
'31, 29' : -0.46251727E+01,
|
|
'31, 30' : -0.46251727E+01,
|
|
'31, 31' : -0.14326607E+02,
|
|
'32, 13' : -0.24511373E+00,
|
|
'32, 32' : -0.13604195E+02,
|
|
'33, 4' : 0.84384893E+00,
|
|
'33, 7' : 0.26656142E+01,
|
|
'33, 14' : 0.17313255E+01,
|
|
'33, 20' : 0.55161815E-01,
|
|
'33, 23' : 0.47400718E+00,
|
|
'33, 26' : 0.41562473E+00,
|
|
'33, 33' : -0.13875518E+02,
|
|
'34, 5' : 0.84384893E+00,
|
|
'34, 8' : 0.26656142E+01,
|
|
'34, 15' : 0.17313255E+01,
|
|
'34, 21' : 0.55161815E-01,
|
|
'34, 24' : 0.47400718E+00,
|
|
'34, 27' : 0.41562473E+00,
|
|
'34, 34' : -0.13875518E+02,
|
|
},
|
|
'O-.ezfio' : {
|
|
'1, 1' : -0.61393942E+02,
|
|
'2, 1' : -0.40005517E+01,
|
|
'2, 2' : -0.10593027E+02,
|
|
'3, 1' : -0.57974995E+01,
|
|
'3, 2' : -0.73628812E+01,
|
|
'3, 3' : -0.70190626E+01,
|
|
'4, 4' : -0.11732933E+02,
|
|
'5, 5' : -0.11732933E+02,
|
|
'6, 6' : -0.11732933E+02,
|
|
'7, 4' : -0.38138856E+01,
|
|
'7, 7' : -0.44655185E+01,
|
|
'8, 5' : -0.38138856E+01,
|
|
'8, 8' : -0.44655185E+01,
|
|
'9, 6' : -0.38138856E+01,
|
|
'9, 9' : -0.44655185E+01,
|
|
'10, 1' : -0.11115363E+01,
|
|
'10, 2' : -0.57052575E+01,
|
|
'10, 3' : -0.48753603E+01,
|
|
'10, 10' : -0.74117020E+01,
|
|
'11, 1' : -0.11115363E+01,
|
|
'11, 2' : -0.57052575E+01,
|
|
'11, 3' : -0.48753603E+01,
|
|
'11, 10' : -0.24705673E+01,
|
|
'11, 11' : -0.74117020E+01,
|
|
'12, 1' : -0.11115363E+01,
|
|
'12, 2' : -0.57052575E+01,
|
|
'12, 3' : -0.48753603E+01,
|
|
'12, 10' : -0.24705673E+01,
|
|
'12, 11' : -0.24705673E+01,
|
|
'12, 12' : -0.74117020E+01,
|
|
'13, 13' : -0.74117020E+01,
|
|
'14, 14' : -0.74117020E+01,
|
|
'15, 15' : -0.74117020E+01,
|
|
},
|
|
'O.ezfio' : {
|
|
'1, 1' : -0.61393942E+02,
|
|
'2, 1' : -0.40005517E+01,
|
|
'2, 2' : -0.10593027E+02,
|
|
'3, 1' : -0.57974995E+01,
|
|
'3, 2' : -0.73628812E+01,
|
|
'3, 3' : -0.70190626E+01,
|
|
'4, 4' : -0.11732933E+02,
|
|
'5, 5' : -0.11732933E+02,
|
|
'6, 6' : -0.11732933E+02,
|
|
'7, 4' : -0.38138856E+01,
|
|
'7, 7' : -0.44655185E+01,
|
|
'8, 5' : -0.38138856E+01,
|
|
'8, 8' : -0.44655185E+01,
|
|
'9, 6' : -0.38138856E+01,
|
|
'9, 9' : -0.44655185E+01,
|
|
'10, 1' : -0.11115363E+01,
|
|
'10, 2' : -0.57052575E+01,
|
|
'10, 3' : -0.48753603E+01,
|
|
'10, 10' : -0.74117020E+01,
|
|
'11, 1' : -0.11115363E+01,
|
|
'11, 2' : -0.57052575E+01,
|
|
'11, 3' : -0.48753603E+01,
|
|
'11, 10' : -0.24705673E+01,
|
|
'11, 11' : -0.74117020E+01,
|
|
'12, 1' : -0.11115363E+01,
|
|
'12, 2' : -0.57052575E+01,
|
|
'12, 3' : -0.48753603E+01,
|
|
'12, 10' : -0.24705673E+01,
|
|
'12, 11' : -0.24705673E+01,
|
|
'12, 12' : -0.74117020E+01,
|
|
'13, 13' : -0.74117020E+01,
|
|
'14, 14' : -0.74117020E+01,
|
|
'15, 15' : -0.74117020E+01,
|
|
},
|
|
'O+.ezfio' : {
|
|
'1, 1' : -0.61393942E+02,
|
|
'2, 1' : -0.40005517E+01,
|
|
'2, 2' : -0.10593027E+02,
|
|
'3, 1' : -0.57974995E+01,
|
|
'3, 2' : -0.73628812E+01,
|
|
'3, 3' : -0.70190626E+01,
|
|
'4, 4' : -0.11732933E+02,
|
|
'5, 5' : -0.11732933E+02,
|
|
'6, 6' : -0.11732933E+02,
|
|
'7, 4' : -0.38138856E+01,
|
|
'7, 7' : -0.44655185E+01,
|
|
'8, 5' : -0.38138856E+01,
|
|
'8, 8' : -0.44655185E+01,
|
|
'9, 6' : -0.38138856E+01,
|
|
'9, 9' : -0.44655185E+01,
|
|
'10, 1' : -0.11115363E+01,
|
|
'10, 2' : -0.57052575E+01,
|
|
'10, 3' : -0.48753603E+01,
|
|
'10, 10' : -0.74117020E+01,
|
|
'11, 1' : -0.11115363E+01,
|
|
'11, 2' : -0.57052575E+01,
|
|
'11, 3' : -0.48753603E+01,
|
|
'11, 10' : -0.24705673E+01,
|
|
'11, 11' : -0.74117020E+01,
|
|
'12, 1' : -0.11115363E+01,
|
|
'12, 2' : -0.57052575E+01,
|
|
'12, 3' : -0.48753603E+01,
|
|
'12, 10' : -0.24705673E+01,
|
|
'12, 11' : -0.24705673E+01,
|
|
'12, 12' : -0.74117020E+01,
|
|
'13, 13' : -0.74117020E+01,
|
|
'14, 14' : -0.74117020E+01,
|
|
'15, 15' : -0.74117020E+01,
|
|
},
|
|
'OH2.ezfio' : {
|
|
'1, 1' : -0.62486526E+02,
|
|
'2, 1' : -0.42465780E+01,
|
|
'2, 2' : -0.11685310E+02,
|
|
'3, 1' : -0.59983348E+01,
|
|
'3, 2' : -0.82256840E+01,
|
|
'3, 3' : -0.80634371E+01,
|
|
'4, 4' : -0.12770062E+02,
|
|
'5, 5' : -0.12871673E+02,
|
|
'6, 1' : 0.27765572E-01,
|
|
'6, 2' : 0.18085386E+00,
|
|
'6, 3' : 0.17591785E+00,
|
|
'6, 6' : -0.12832871E+02,
|
|
'7, 4' : -0.43051438E+01,
|
|
'7, 7' : -0.52901196E+01,
|
|
'8, 5' : -0.43987011E+01,
|
|
'8, 8' : -0.55125254E+01,
|
|
'9, 1' : 0.40275879E-02,
|
|
'9, 2' : 0.11659382E+00,
|
|
'9, 3' : 0.24230586E+00,
|
|
'9, 6' : -0.43629742E+01,
|
|
'9, 9' : -0.54275949E+01,
|
|
'10, 1' : -0.11774352E+01,
|
|
'10, 2' : -0.63744042E+01,
|
|
'10, 3' : -0.55285454E+01,
|
|
'10, 6' : 0.70685132E-01,
|
|
'10, 9' : 0.59976444E-01,
|
|
'10, 10' : -0.83796967E+01,
|
|
'11, 1' : -0.11798566E+01,
|
|
'11, 2' : -0.64658241E+01,
|
|
'11, 3' : -0.56532641E+01,
|
|
'11, 6' : 0.11927357E+00,
|
|
'11, 9' : 0.12501098E+00,
|
|
'11, 10' : -0.28224066E+01,
|
|
'11, 11' : -0.86086215E+01,
|
|
'12, 1' : -0.11789319E+01,
|
|
'12, 2' : -0.64309134E+01,
|
|
'12, 3' : -0.56056375E+01,
|
|
'12, 6' : 0.24208929E+00,
|
|
'12, 9' : 0.22012903E+00,
|
|
'12, 10' : -0.28112657E+01,
|
|
'12, 11' : -0.28737440E+01,
|
|
'12, 12' : -0.85084838E+01,
|
|
'13, 13' : -0.84672198E+01,
|
|
'14, 4' : 0.12243024E+00,
|
|
'14, 7' : 0.10388225E+00,
|
|
'14, 14' : -0.84337972E+01,
|
|
'15, 5' : 0.20658788E+00,
|
|
'15, 8' : 0.21652537E+00,
|
|
'15, 15' : -0.86212321E+01,
|
|
'16, 1' : -0.15292436E+01,
|
|
'16, 2' : -0.28382475E+01,
|
|
'16, 3' : -0.35564694E+01,
|
|
'16, 5' : -0.18834519E+01,
|
|
'16, 6' : 0.15214138E+01,
|
|
'16, 8' : -0.28294756E+01,
|
|
'16, 9' : 0.22784321E+01,
|
|
'16, 10' : -0.16556656E+01,
|
|
'16, 11' : -0.27543660E+01,
|
|
'16, 12' : -0.23625131E+01,
|
|
'16, 15' : 0.14961526E+01,
|
|
'16, 16' : -0.60531924E+01,
|
|
'17, 1' : -0.20618182E+01,
|
|
'17, 2' : -0.34325147E+01,
|
|
'17, 3' : -0.43202240E+01,
|
|
'17, 5' : -0.69027237E+00,
|
|
'17, 6' : 0.62087095E+00,
|
|
'17, 8' : -0.14544954E+01,
|
|
'17, 9' : 0.12973139E+01,
|
|
'17, 10' : -0.25090051E+01,
|
|
'17, 11' : -0.26865151E+01,
|
|
'17, 12' : -0.26344814E+01,
|
|
'17, 15' : 0.17918930E+00,
|
|
'17, 16' : -0.37441307E+01,
|
|
'17, 17' : -0.43813772E+01,
|
|
'18, 4' : -0.15999884E+01,
|
|
'18, 7' : -0.21526603E+01,
|
|
'18, 13' : -0.17375010E+01,
|
|
'18, 14' : 0.13893347E+01,
|
|
'18, 18' : -0.51634396E+01,
|
|
'19, 1' : 0.25470995E+01,
|
|
'19, 2' : 0.37289065E+01,
|
|
'19, 3' : 0.30657473E+01,
|
|
'19, 5' : 0.17265475E+01,
|
|
'19, 6' : -0.26721216E+01,
|
|
'19, 8' : 0.17448512E+00,
|
|
'19, 9' : -0.18836500E+01,
|
|
'19, 10' : 0.20399983E+01,
|
|
'19, 11' : 0.20744896E+01,
|
|
'19, 12' : 0.33542475E+01,
|
|
'19, 15' : -0.14075897E+01,
|
|
'19, 16' : 0.12044086E+01,
|
|
'19, 17' : 0.10372102E+01,
|
|
'19, 19' : -0.59693704E+01,
|
|
'20, 1' : -0.20013761E+01,
|
|
'20, 2' : -0.29029037E+01,
|
|
'20, 3' : -0.23582337E+01,
|
|
'20, 5' : -0.26063926E+01,
|
|
'20, 6' : 0.47618221E+00,
|
|
'20, 8' : -0.18039542E+01,
|
|
'20, 9' : -0.72118246E+00,
|
|
'20, 10' : -0.15904225E+01,
|
|
'20, 11' : -0.31875061E+01,
|
|
'20, 12' : -0.99967861E+00,
|
|
'20, 15' : 0.45270457E+00,
|
|
'20, 16' : -0.88721753E+00,
|
|
'20, 17' : -0.75960921E+00,
|
|
'20, 19' : 0.59961626E+00,
|
|
'20, 20' : -0.56348648E+01,
|
|
'21, 1' : -0.15292436E+01,
|
|
'21, 2' : -0.28382475E+01,
|
|
'21, 3' : -0.35564694E+01,
|
|
'21, 5' : 0.18834519E+01,
|
|
'21, 6' : 0.15214138E+01,
|
|
'21, 8' : 0.28294756E+01,
|
|
'21, 9' : 0.22784321E+01,
|
|
'21, 10' : -0.16556656E+01,
|
|
'21, 11' : -0.27543660E+01,
|
|
'21, 12' : -0.23625131E+01,
|
|
'21, 15' : -0.14961526E+01,
|
|
'21, 16' : -0.88146238E+00,
|
|
'21, 17' : -0.18968435E+01,
|
|
'21, 19' : 0.12507887E+01,
|
|
'21, 20' : -0.20747364E+00,
|
|
'21, 21' : -0.60531924E+01,
|
|
'22, 1' : -0.20618182E+01,
|
|
'22, 2' : -0.34325147E+01,
|
|
'22, 3' : -0.43202240E+01,
|
|
'22, 5' : 0.69027237E+00,
|
|
'22, 6' : 0.62087095E+00,
|
|
'22, 8' : 0.14544954E+01,
|
|
'22, 9' : 0.12973139E+01,
|
|
'22, 10' : -0.25090051E+01,
|
|
'22, 11' : -0.26865151E+01,
|
|
'22, 12' : -0.26344814E+01,
|
|
'22, 15' : -0.17918930E+00,
|
|
'22, 16' : -0.18968435E+01,
|
|
'22, 17' : -0.30092206E+01,
|
|
'22, 19' : 0.15199145E+01,
|
|
'22, 20' : -0.46357350E+00,
|
|
'22, 21' : -0.37441307E+01,
|
|
'22, 22' : -0.43813772E+01,
|
|
'23, 4' : -0.15999884E+01,
|
|
'23, 7' : -0.21526603E+01,
|
|
'23, 13' : 0.17375010E+01,
|
|
'23, 14' : 0.13893347E+01,
|
|
'23, 18' : -0.32075219E+00,
|
|
'23, 23' : -0.51634396E+01,
|
|
'24, 1' : -0.25470995E+01,
|
|
'24, 2' : -0.37289065E+01,
|
|
'24, 3' : -0.30657473E+01,
|
|
'24, 5' : 0.17265475E+01,
|
|
'24, 6' : 0.26721216E+01,
|
|
'24, 8' : 0.17448512E+00,
|
|
'24, 9' : 0.18836500E+01,
|
|
'24, 10' : -0.20399983E+01,
|
|
'24, 11' : -0.20744896E+01,
|
|
'24, 12' : -0.33542475E+01,
|
|
'24, 15' : -0.14075897E+01,
|
|
'24, 16' : -0.12507887E+01,
|
|
'24, 17' : -0.15199145E+01,
|
|
'24, 19' : 0.20461753E+01,
|
|
'24, 20' : -0.31310799E+00,
|
|
'24, 21' : -0.12044086E+01,
|
|
'24, 22' : -0.10372102E+01,
|
|
'24, 24' : -0.59693704E+01,
|
|
'25, 1' : -0.20013761E+01,
|
|
'25, 2' : -0.29029037E+01,
|
|
'25, 3' : -0.23582337E+01,
|
|
'25, 5' : 0.26063926E+01,
|
|
'25, 6' : 0.47618221E+00,
|
|
'25, 8' : 0.18039542E+01,
|
|
'25, 9' : -0.72118246E+00,
|
|
'25, 10' : -0.15904225E+01,
|
|
'25, 11' : -0.31875061E+01,
|
|
'25, 12' : -0.99967861E+00,
|
|
'25, 15' : -0.45270457E+00,
|
|
'25, 16' : -0.20747364E+00,
|
|
'25, 17' : -0.46357350E+00,
|
|
'25, 19' : 0.31310799E+00,
|
|
'25, 20' : -0.43580296E+00,
|
|
'25, 21' : -0.88721753E+00,
|
|
'25, 22' : -0.75960921E+00,
|
|
'25, 24' : -0.59961626E+00,
|
|
'25, 25' : -0.56348648E+01,
|
|
},
|
|
'OH2+.ezfio' : {
|
|
'1, 1' : -0.62438881E+02,
|
|
'2, 1' : -0.42358494E+01,
|
|
'2, 2' : -0.11637819E+02,
|
|
'3, 1' : -0.59895769E+01,
|
|
'3, 2' : -0.81890150E+01,
|
|
'3, 3' : -0.80270962E+01,
|
|
'4, 4' : -0.12729354E+02,
|
|
'5, 5' : -0.12825917E+02,
|
|
'6, 1' : 0.23676704E-01,
|
|
'6, 2' : 0.15440433E+00,
|
|
'6, 3' : 0.15125006E+00,
|
|
'6, 6' : -0.12777348E+02,
|
|
'7, 4' : -0.42882326E+01,
|
|
'7, 7' : -0.52716151E+01,
|
|
'8, 5' : -0.43795759E+01,
|
|
'8, 8' : -0.55080479E+01,
|
|
'9, 1' : 0.34344697E-02,
|
|
'9, 2' : 0.10052751E+00,
|
|
'9, 3' : 0.21753911E+00,
|
|
'9, 6' : -0.43336326E+01,
|
|
'9, 9' : -0.53891285E+01,
|
|
'10, 1' : -0.11746680E+01,
|
|
'10, 2' : -0.63492891E+01,
|
|
'10, 3' : -0.55059112E+01,
|
|
'10, 6' : 0.61451636E-01,
|
|
'10, 9' : 0.52927592E-01,
|
|
'10, 10' : -0.83466819E+01,
|
|
'11, 1' : -0.11769577E+01,
|
|
'11, 2' : -0.64361765E+01,
|
|
'11, 3' : -0.56267394E+01,
|
|
'11, 6' : 0.10299642E+00,
|
|
'11, 9' : 0.11110011E+00,
|
|
'11, 10' : -0.28108712E+01,
|
|
'11, 11' : -0.85703248E+01,
|
|
'12, 1' : -0.11758061E+01,
|
|
'12, 2' : -0.63924744E+01,
|
|
'12, 3' : -0.55659661E+01,
|
|
'12, 6' : 0.20500377E+00,
|
|
'12, 9' : 0.18769607E+00,
|
|
'12, 10' : -0.27964641E+01,
|
|
'12, 11' : -0.28508438E+01,
|
|
'12, 12' : -0.84448939E+01,
|
|
'13, 13' : -0.84326135E+01,
|
|
'14, 4' : 0.10643736E+00,
|
|
'14, 7' : 0.91673278E-01,
|
|
'14, 14' : -0.83893922E+01,
|
|
'15, 5' : 0.17839502E+00,
|
|
'15, 8' : 0.19243104E+00,
|
|
'15, 15' : -0.85525315E+01,
|
|
'16, 1' : -0.13297313E+01,
|
|
'16, 2' : -0.25174874E+01,
|
|
'16, 3' : -0.32699580E+01,
|
|
'16, 5' : -0.17886420E+01,
|
|
'16, 6' : 0.12903041E+01,
|
|
'16, 8' : -0.28571721E+01,
|
|
'16, 9' : 0.20542542E+01,
|
|
'16, 10' : -0.14718478E+01,
|
|
'16, 11' : -0.25713887E+01,
|
|
'16, 12' : -0.20383071E+01,
|
|
'16, 15' : 0.13460033E+01,
|
|
'16, 16' : -0.58476076E+01,
|
|
'17, 1' : -0.19822889E+01,
|
|
'17, 2' : -0.32973856E+01,
|
|
'17, 3' : -0.41709473E+01,
|
|
'17, 5' : -0.72086682E+00,
|
|
'17, 6' : 0.57171484E+00,
|
|
'17, 8' : -0.15374987E+01,
|
|
'17, 9' : 0.12140349E+01,
|
|
'17, 10' : -0.24112617E+01,
|
|
'17, 11' : -0.25979150E+01,
|
|
'17, 12' : -0.25168991E+01,
|
|
'17, 15' : 0.17885069E+00,
|
|
'17, 16' : -0.36254961E+01,
|
|
'17, 17' : -0.42901499E+01,
|
|
'18, 4' : -0.13624481E+01,
|
|
'18, 7' : -0.19767779E+01,
|
|
'18, 13' : -0.16171497E+01,
|
|
'18, 14' : 0.11564177E+01,
|
|
'18, 18' : -0.50036872E+01,
|
|
'19, 1' : 0.22255598E+01,
|
|
'19, 2' : 0.34749811E+01,
|
|
'19, 3' : 0.29701241E+01,
|
|
'19, 5' : 0.19758620E+01,
|
|
'19, 6' : -0.23940731E+01,
|
|
'19, 8' : 0.53217530E+00,
|
|
'19, 9' : -0.18075165E+01,
|
|
'19, 10' : 0.18895017E+01,
|
|
'19, 11' : 0.22602439E+01,
|
|
'19, 12' : 0.30399695E+01,
|
|
'19, 15' : -0.15965535E+01,
|
|
'19, 16' : 0.11513928E+01,
|
|
'19, 17' : 0.10067888E+01,
|
|
'19, 19' : -0.57774783E+01,
|
|
'20, 1' : -0.15682231E+01,
|
|
'20, 2' : -0.24301532E+01,
|
|
'20, 3' : -0.20566347E+01,
|
|
'20, 5' : -0.23453132E+01,
|
|
'20, 6' : 0.30941324E+00,
|
|
'20, 8' : -0.17452413E+01,
|
|
'20, 9' : -0.73674547E+00,
|
|
'20, 10' : -0.13226756E+01,
|
|
'20, 11' : -0.28944713E+01,
|
|
'20, 12' : -0.78646456E+00,
|
|
'20, 15' : 0.31514885E+00,
|
|
'20, 16' : -0.76642249E+00,
|
|
'20, 17' : -0.66731781E+00,
|
|
'20, 19' : 0.52177491E+00,
|
|
'20, 20' : -0.53715391E+01,
|
|
'21, 1' : -0.13297313E+01,
|
|
'21, 2' : -0.25174874E+01,
|
|
'21, 3' : -0.32699580E+01,
|
|
'21, 5' : 0.17886420E+01,
|
|
'21, 6' : 0.12903041E+01,
|
|
'21, 8' : 0.28571721E+01,
|
|
'21, 9' : 0.20542542E+01,
|
|
'21, 10' : -0.14718478E+01,
|
|
'21, 11' : -0.25713887E+01,
|
|
'21, 12' : -0.20383071E+01,
|
|
'21, 15' : -0.13460033E+01,
|
|
'21, 16' : -0.61602168E+00,
|
|
'21, 17' : -0.16125192E+01,
|
|
'21, 19' : 0.88013081E+00,
|
|
'21, 20' : -0.13604801E+00,
|
|
'21, 21' : -0.58476076E+01,
|
|
'22, 1' : -0.19822889E+01,
|
|
'22, 2' : -0.32973856E+01,
|
|
'22, 3' : -0.41709473E+01,
|
|
'22, 5' : 0.72086682E+00,
|
|
'22, 6' : 0.57171484E+00,
|
|
'22, 8' : 0.15374987E+01,
|
|
'22, 9' : 0.12140349E+01,
|
|
'22, 10' : -0.24112617E+01,
|
|
'22, 11' : -0.25979150E+01,
|
|
'22, 12' : -0.25168991E+01,
|
|
'22, 15' : -0.17885069E+00,
|
|
'22, 16' : -0.16125192E+01,
|
|
'22, 17' : -0.27422366E+01,
|
|
'22, 19' : 0.13627298E+01,
|
|
'22, 20' : -0.36759067E+00,
|
|
'22, 21' : -0.36254961E+01,
|
|
'22, 22' : -0.42901499E+01,
|
|
'23, 4' : -0.13624481E+01,
|
|
'23, 7' : -0.19767779E+01,
|
|
'23, 13' : 0.16171497E+01,
|
|
'23, 14' : 0.11564177E+01,
|
|
'23, 18' : -0.18569996E+00,
|
|
'23, 23' : -0.50036872E+01,
|
|
'24, 1' : -0.22255598E+01,
|
|
'24, 2' : -0.34749811E+01,
|
|
'24, 3' : -0.29701241E+01,
|
|
'24, 5' : 0.19758620E+01,
|
|
'24, 6' : 0.23940731E+01,
|
|
'24, 8' : 0.53217530E+00,
|
|
'24, 9' : 0.18075165E+01,
|
|
'24, 10' : -0.18895017E+01,
|
|
'24, 11' : -0.22602439E+01,
|
|
'24, 12' : -0.30399695E+01,
|
|
'24, 15' : -0.15965535E+01,
|
|
'24, 16' : -0.88013081E+00,
|
|
'24, 17' : -0.13627298E+01,
|
|
'24, 19' : 0.14420525E+01,
|
|
'24, 20' : -0.20053607E+00,
|
|
'24, 21' : -0.11513928E+01,
|
|
'24, 22' : -0.10067888E+01,
|
|
'24, 24' : -0.57774783E+01,
|
|
'25, 1' : -0.15682231E+01,
|
|
'25, 2' : -0.24301532E+01,
|
|
'25, 3' : -0.20566347E+01,
|
|
'25, 5' : 0.23453132E+01,
|
|
'25, 6' : 0.30941324E+00,
|
|
'25, 8' : 0.17452413E+01,
|
|
'25, 9' : -0.73674547E+00,
|
|
'25, 10' : -0.13226756E+01,
|
|
'25, 11' : -0.28944713E+01,
|
|
'25, 12' : -0.78646456E+00,
|
|
'25, 15' : -0.31514885E+00,
|
|
'25, 16' : -0.13604801E+00,
|
|
'25, 17' : -0.36759067E+00,
|
|
'25, 19' : 0.20053607E+00,
|
|
'25, 20' : -0.25270494E+00,
|
|
'25, 21' : -0.76642249E+00,
|
|
'25, 22' : -0.66731781E+00,
|
|
'25, 24' : -0.52177491E+00,
|
|
'25, 25' : -0.53715391E+01,
|
|
},
|
|
'OH3+.ezfio' : {
|
|
'1, 1' : -0.63000348E+02,
|
|
'2, 1' : -0.43622796E+01,
|
|
'2, 2' : -0.12199104E+02,
|
|
'3, 1' : -0.60927840E+01,
|
|
'3, 2' : -0.86321702E+01,
|
|
'3, 3' : -0.85611884E+01,
|
|
'4, 1' : 0.45114488E-05,
|
|
'4, 2' : 0.29137376E-04,
|
|
'4, 3' : 0.26911214E-04,
|
|
'4, 4' : -0.13367621E+02,
|
|
'5, 1' : 0.18782091E-01,
|
|
'5, 2' : 0.12241365E+00,
|
|
'5, 3' : 0.11947600E+00,
|
|
'5, 4' : -0.76657487E-05,
|
|
'5, 5' : -0.13280595E+02,
|
|
'6, 6' : -0.13367624E+02,
|
|
'7, 1' : 0.65441658E-06,
|
|
'7, 2' : 0.17454532E-04,
|
|
'7, 3' : 0.24720814E-04,
|
|
'7, 4' : -0.46387854E+01,
|
|
'7, 5' : -0.62540303E-05,
|
|
'7, 7' : -0.59356767E+01,
|
|
'8, 1' : 0.27244721E-02,
|
|
'8, 2' : 0.79292270E-01,
|
|
'8, 3' : 0.16784471E+00,
|
|
'8, 4' : -0.62540303E-05,
|
|
'8, 5' : -0.45576292E+01,
|
|
'8, 7' : -0.85428659E-05,
|
|
'8, 8' : -0.57352115E+01,
|
|
'9, 6' : -0.46387850E+01,
|
|
'9, 9' : -0.59356528E+01,
|
|
'10, 1' : -0.12110360E+01,
|
|
'10, 2' : -0.67879004E+01,
|
|
'10, 3' : -0.59719321E+01,
|
|
'10, 4' : -0.38822130E-01,
|
|
'10, 5' : 0.71805508E-01,
|
|
'10, 7' : -0.53089872E-01,
|
|
'10, 8' : 0.73425769E-01,
|
|
'10, 10' : -0.90888761E+01,
|
|
'11, 1' : -0.12089673E+01,
|
|
'11, 2' : -0.67095970E+01,
|
|
'11, 3' : -0.58641294E+01,
|
|
'11, 4' : 0.12222137E-04,
|
|
'11, 5' : 0.14906153E+00,
|
|
'11, 7' : 0.10033810E-04,
|
|
'11, 8' : 0.12957189E+00,
|
|
'11, 10' : -0.29913955E+01,
|
|
'11, 11' : -0.88770357E+01,
|
|
'12, 1' : -0.12110361E+01,
|
|
'12, 2' : -0.67879028E+01,
|
|
'12, 3' : -0.59719326E+01,
|
|
'12, 4' : 0.38878717E-01,
|
|
'12, 5' : 0.71808151E-01,
|
|
'12, 7' : 0.53137205E-01,
|
|
'12, 8' : 0.73427788E-01,
|
|
'12, 10' : -0.30296317E+01,
|
|
'12, 11' : -0.29913967E+01,
|
|
'12, 12' : -0.90888813E+01,
|
|
'13, 1' : -0.32300013E-06,
|
|
'13, 2' : -0.11940479E-04,
|
|
'13, 3' : -0.14976745E-04,
|
|
'13, 4' : 0.12437079E+00,
|
|
'13, 5' : 0.21169362E-04,
|
|
'13, 7' : 0.12717716E+00,
|
|
'13, 8' : 0.17379069E-04,
|
|
'13, 10' : 0.21350095E-01,
|
|
'13, 11' : -0.11460404E-04,
|
|
'13, 12' : -0.21376084E-01,
|
|
'13, 13' : -0.89741866E+01,
|
|
'14, 6' : 0.67339913E-01,
|
|
'14, 9' : 0.92036339E-01,
|
|
'14, 14' : -0.90888952E+01,
|
|
'15, 6' : 0.12437537E+00,
|
|
'15, 9' : 0.12718066E+00,
|
|
'15, 14' : -0.37024463E-01,
|
|
'15, 15' : -0.89741900E+01,
|
|
'16, 1' : -0.14616351E+01,
|
|
'16, 2' : -0.28160053E+01,
|
|
'16, 3' : -0.36083773E+01,
|
|
'16, 4' : -0.23137856E+01,
|
|
'16, 5' : 0.72542438E+00,
|
|
'16, 7' : -0.36065155E+01,
|
|
'16, 8' : 0.11245845E+01,
|
|
'16, 10' : -0.33041587E+01,
|
|
'16, 11' : -0.18167038E+01,
|
|
'16, 12' : -0.16748758E+01,
|
|
'16, 13' : 0.87827429E+00,
|
|
'16, 16' : -0.62712459E+01,
|
|
'17, 1' : -0.20601188E+01,
|
|
'17, 2' : -0.35474201E+01,
|
|
'17, 3' : -0.45334104E+01,
|
|
'17, 4' : -0.89056188E+00,
|
|
'17, 5' : 0.32057184E+00,
|
|
'17, 7' : -0.19206114E+01,
|
|
'17, 8' : 0.68219649E+00,
|
|
'17, 10' : -0.28600022E+01,
|
|
'17, 11' : -0.26441735E+01,
|
|
'17, 12' : -0.26691897E+01,
|
|
'17, 13' : 0.11439977E+00,
|
|
'17, 16' : -0.39037910E+01,
|
|
'17, 17' : -0.46447587E+01,
|
|
'18, 1' : 0.29205119E+01,
|
|
'18, 2' : 0.45060021E+01,
|
|
'18, 3' : 0.37699743E+01,
|
|
'18, 4' : 0.34366936E+01,
|
|
'18, 5' : -0.15514829E+01,
|
|
'18, 7' : 0.14419439E+01,
|
|
'18, 8' : -0.11333934E+01,
|
|
'18, 10' : 0.38520480E+01,
|
|
'18, 11' : 0.28464685E+01,
|
|
'18, 12' : 0.25003090E+01,
|
|
'18, 13' : -0.13883804E+01,
|
|
'18, 16' : 0.14416717E+01,
|
|
'18, 17' : 0.12523901E+01,
|
|
'18, 18' : -0.65221129E+01,
|
|
'19, 1' : -0.88459069E+00,
|
|
'19, 2' : -0.13496097E+01,
|
|
'19, 3' : -0.11132840E+01,
|
|
'19, 4' : -0.15050093E+01,
|
|
'19, 5' : -0.11008735E+01,
|
|
'19, 7' : -0.10772679E+01,
|
|
'19, 8' : -0.18693399E+01,
|
|
'19, 10' : -0.18973408E+01,
|
|
'19, 11' : -0.91463086E-01,
|
|
'19, 12' : -0.74663232E+00,
|
|
'19, 13' : -0.15155930E+01,
|
|
'19, 16' : -0.40254489E+00,
|
|
'19, 17' : -0.34733403E+00,
|
|
'19, 18' : 0.32665542E+00,
|
|
'19, 19' : -0.54913567E+01,
|
|
'20, 6' : -0.15762570E+01,
|
|
'20, 9' : -0.22186035E+01,
|
|
'20, 14' : -0.21375848E+01,
|
|
'20, 15' : 0.66751218E+00,
|
|
'20, 20' : -0.54097226E+01,
|
|
'21, 1' : -0.14619638E+01,
|
|
'21, 2' : -0.28165357E+01,
|
|
'21, 3' : -0.36088456E+01,
|
|
'21, 4' : 0.11571498E+01,
|
|
'21, 5' : 0.72558052E+00,
|
|
'21, 6' : -0.20040179E+01,
|
|
'21, 7' : 0.18034760E+01,
|
|
'21, 8' : 0.11247175E+01,
|
|
'21, 9' : -0.31233663E+01,
|
|
'21, 10' : -0.20826169E+01,
|
|
'21, 11' : -0.18170514E+01,
|
|
'21, 12' : -0.28972096E+01,
|
|
'21, 13' : -0.43925642E+00,
|
|
'21, 14' : 0.12221556E+01,
|
|
'21, 15' : 0.76072584E+00,
|
|
'21, 16' : -0.69503025E+00,
|
|
'21, 17' : -0.17677921E+01,
|
|
'21, 18' : 0.92846450E+00,
|
|
'21, 19' : -0.76181793E-01,
|
|
'21, 20' : -0.38457371E+00,
|
|
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'29, 28' : -0.23301126E+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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'22, 10' : -0.16350375E+01,
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'22, 13' : -0.59423226E+01,
|
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'22, 14' : -0.28668273E+00,
|
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'22, 15' : -0.28668273E+00,
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'22, 16' : -0.32897969E+01,
|
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'22, 20' : 0.76257334E+01,
|
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'22, 21' : -0.18188091E+01,
|
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'22, 22' : -0.18653245E+02,
|
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'23, 1' : -0.33058698E+00,
|
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'23, 2' : -0.75719465E+00,
|
|
'23, 3' : -0.24087700E+01,
|
|
'23, 4' : -0.45028322E+01,
|
|
'23, 7' : -0.42587228E+00,
|
|
'23, 10' : -0.30901999E+01,
|
|
'23, 13' : -0.77631718E+01,
|
|
'23, 14' : -0.13118513E+01,
|
|
'23, 15' : -0.13118513E+01,
|
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'23, 16' : -0.47650523E+01,
|
|
'23, 20' : -0.64338173E+01,
|
|
'23, 21' : -0.12025204E+02,
|
|
'23, 22' : -0.14010360E+02,
|
|
'23, 23' : -0.15797113E+02,
|
|
'24, 5' : -0.48045196E-05,
|
|
'24, 8' : -0.31345960E-01,
|
|
'24, 11' : -0.32121008E+00,
|
|
'24, 18' : -0.16803720E+00,
|
|
'24, 24' : -0.58312694E+02,
|
|
'25, 6' : -0.48045196E-05,
|
|
'25, 9' : -0.31345960E-01,
|
|
'25, 12' : -0.32121008E+00,
|
|
'25, 19' : -0.16803720E+00,
|
|
'25, 25' : -0.58312694E+02,
|
|
'26, 1' : 0.58104313E-08,
|
|
'26, 2' : 0.18148015E-04,
|
|
'26, 3' : 0.15291629E+00,
|
|
'26, 4' : 0.44764448E+00,
|
|
'26, 7' : 0.11399608E-03,
|
|
'26, 10' : 0.30628756E+00,
|
|
'26, 13' : 0.83959272E+00,
|
|
'26, 14' : 0.11066940E-01,
|
|
'26, 15' : 0.11066940E-01,
|
|
'26, 16' : 0.82140606E+00,
|
|
'26, 20' : 0.38027714E-01,
|
|
'26, 21' : 0.23649614E+00,
|
|
'26, 22' : 0.12149706E+00,
|
|
'26, 23' : 0.12279255E+00,
|
|
'26, 26' : -0.58343828E+02,
|
|
'27, 5' : -0.11019682E-01,
|
|
'27, 8' : -0.39947052E+00,
|
|
'27, 11' : -0.16016335E+01,
|
|
'27, 18' : -0.13132313E+01,
|
|
'27, 24' : -0.10618288E+02,
|
|
'27, 27' : -0.18048319E+02,
|
|
'28, 6' : -0.11019682E-01,
|
|
'28, 9' : -0.39947052E+00,
|
|
'28, 12' : -0.16016335E+01,
|
|
'28, 19' : -0.13132313E+01,
|
|
'28, 25' : -0.10618288E+02,
|
|
'28, 28' : -0.18048319E+02,
|
|
'29, 1' : 0.22254209E-01,
|
|
'29, 2' : 0.10131656E+00,
|
|
'29, 3' : 0.15683744E+01,
|
|
'29, 4' : 0.24366471E+01,
|
|
'29, 7' : 0.13564023E+00,
|
|
'29, 10' : 0.26447140E+01,
|
|
'29, 13' : 0.36816573E+01,
|
|
'29, 14' : 0.48966491E+00,
|
|
'29, 15' : 0.48966491E+00,
|
|
'29, 16' : 0.45883042E+01,
|
|
'29, 20' : 0.24817951E-02,
|
|
'29, 21' : 0.12856885E+00,
|
|
'29, 22' : 0.75000300E+00,
|
|
'29, 23' : 0.78420362E+00,
|
|
'29, 26' : -0.10652895E+02,
|
|
'29, 29' : -0.18365674E+02,
|
|
'30, 5' : -0.29903595E+00,
|
|
'30, 8' : -0.17450564E+01,
|
|
'30, 11' : -0.36448955E+01,
|
|
'30, 18' : -0.26625863E+01,
|
|
'30, 24' : -0.26147156E+01,
|
|
'30, 27' : -0.91273675E+01,
|
|
'30, 30' : -0.10743942E+02,
|
|
'31, 6' : -0.29903595E+00,
|
|
'31, 9' : -0.17450564E+01,
|
|
'31, 12' : -0.36448955E+01,
|
|
'31, 19' : -0.26625863E+01,
|
|
'31, 25' : -0.26147156E+01,
|
|
'31, 28' : -0.91273675E+01,
|
|
'31, 31' : -0.10743942E+02,
|
|
'32, 1' : 0.14539410E+01,
|
|
'32, 2' : 0.30606736E+01,
|
|
'32, 3' : 0.55817925E+01,
|
|
'32, 4' : 0.64221734E+01,
|
|
'32, 7' : 0.11444953E+01,
|
|
'32, 10' : 0.51312786E+01,
|
|
'32, 13' : 0.50934978E+01,
|
|
'32, 14' : 0.35630765E+01,
|
|
'32, 15' : 0.35630765E+01,
|
|
'32, 16' : 0.66394437E+01,
|
|
'32, 20' : 0.60479827E-03,
|
|
'32, 21' : 0.33402370E-01,
|
|
'32, 22' : 0.52507397E+00,
|
|
'32, 23' : 0.11005848E+01,
|
|
'32, 26' : -0.26266390E+01,
|
|
'32, 29' : -0.94536703E+01,
|
|
'32, 32' : -0.11828825E+02,
|
|
'33, 1' : -0.33530557E-04,
|
|
'33, 2' : -0.29335977E-02,
|
|
'33, 3' : -0.46379311E+00,
|
|
'33, 4' : -0.19392880E+01,
|
|
'33, 7' : -0.56290303E-02,
|
|
'33, 10' : -0.78551377E+00,
|
|
'33, 13' : -0.45304556E+01,
|
|
'33, 14' : -0.36636017E+00,
|
|
'33, 15' : -0.12212006E+00,
|
|
'33, 16' : -0.17331209E+01,
|
|
'33, 20' : -0.17097945E+00,
|
|
'33, 21' : -0.31483159E+01,
|
|
'33, 22' : -0.11146285E+02,
|
|
'33, 23' : -0.10488417E+02,
|
|
'33, 26' : 0.37783764E-01,
|
|
'33, 29' : 0.33682354E+00,
|
|
'33, 32' : 0.30667508E+00,
|
|
'33, 33' : -0.14860350E+02,
|
|
'34, 1' : -0.33530557E-04,
|
|
'34, 2' : -0.29335977E-02,
|
|
'34, 3' : -0.46379311E+00,
|
|
'34, 4' : -0.19392880E+01,
|
|
'34, 7' : -0.56290303E-02,
|
|
'34, 10' : -0.78551377E+00,
|
|
'34, 13' : -0.45304556E+01,
|
|
'34, 14' : -0.12212006E+00,
|
|
'34, 15' : -0.36636017E+00,
|
|
'34, 16' : -0.17331209E+01,
|
|
'34, 20' : -0.17097945E+00,
|
|
'34, 21' : -0.31483159E+01,
|
|
'34, 22' : -0.11146285E+02,
|
|
'34, 23' : -0.10488417E+02,
|
|
'34, 26' : 0.37783764E-01,
|
|
'34, 29' : 0.33682354E+00,
|
|
'34, 32' : 0.30667508E+00,
|
|
'34, 33' : -0.49534500E+01,
|
|
'34, 34' : -0.14860350E+02,
|
|
'35, 1' : -0.37341286E-01,
|
|
'35, 2' : -0.18257418E+00,
|
|
'35, 3' : -0.22524920E+01,
|
|
'35, 4' : -0.34113672E+01,
|
|
'35, 7' : -0.25123020E+00,
|
|
'35, 10' : -0.36883260E+01,
|
|
'35, 13' : -0.58287488E+01,
|
|
'35, 14' : -0.69805723E+00,
|
|
'35, 15' : -0.69805723E+00,
|
|
'35, 16' : -0.58100474E+01,
|
|
'35, 20' : -0.17104701E+00,
|
|
'35, 21' : -0.31603410E+01,
|
|
'35, 22' : -0.11390750E+02,
|
|
'35, 23' : -0.10823275E+02,
|
|
'35, 26' : 0.11993443E+00,
|
|
'35, 29' : 0.11658090E+01,
|
|
'35, 32' : 0.11490720E+01,
|
|
'35, 33' : -0.50450686E+01,
|
|
'35, 34' : -0.50450686E+01,
|
|
'35, 35' : -0.15512509E+02,
|
|
'36, 17' : -0.36636017E+00,
|
|
'36, 36' : -0.14860350E+02,
|
|
'37, 5' : 0.33754810E-01,
|
|
'37, 8' : 0.85265955E+00,
|
|
'37, 11' : 0.14654335E+01,
|
|
'37, 18' : 0.23771365E+01,
|
|
'37, 24' : 0.65443399E-01,
|
|
'37, 27' : 0.58339548E+00,
|
|
'37, 30' : 0.53117683E+00,
|
|
'37, 37' : -0.15135206E+02,
|
|
'38, 6' : 0.33754810E-01,
|
|
'38, 9' : 0.85265955E+00,
|
|
'38, 12' : 0.14654335E+01,
|
|
'38, 19' : 0.23771365E+01,
|
|
'38, 25' : 0.65443399E-01,
|
|
'38, 28' : 0.58339548E+00,
|
|
'38, 31' : 0.53117683E+00,
|
|
'38, 38' : -0.15135206E+02,
|
|
},
|
|
'P-.ezfio' : {
|
|
'1, 1' : -0.21831507E+03,
|
|
'2, 1' : -0.22134603E+02,
|
|
'2, 2' : -0.36364835E+02,
|
|
'3, 1' : 0.44923575E+01,
|
|
'3, 2' : -0.14255634E+01,
|
|
'3, 3' : -0.10487300E+02,
|
|
'4, 1' : -0.41907219E+01,
|
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'4, 2' : -0.74616954E+01,
|
|
'4, 3' : -0.78357713E+01,
|
|
'4, 4' : -0.84016903E+01,
|
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'5, 5' : -0.40816851E+02,
|
|
'6, 6' : -0.40816851E+02,
|
|
'7, 7' : -0.40816851E+02,
|
|
'8, 5' : -0.64532227E+01,
|
|
'8, 8' : -0.10314648E+02,
|
|
'9, 6' : -0.64532227E+01,
|
|
'9, 9' : -0.10314648E+02,
|
|
'10, 7' : -0.64532227E+01,
|
|
'10, 10' : -0.10314648E+02,
|
|
'11, 5' : -0.17235839E+01,
|
|
'11, 8' : -0.52420620E+01,
|
|
'11, 11' : -0.54955657E+01,
|
|
'12, 6' : -0.17235839E+01,
|
|
'12, 9' : -0.52420620E+01,
|
|
'12, 12' : -0.54955657E+01,
|
|
'13, 7' : -0.17235839E+01,
|
|
'13, 10' : -0.52420620E+01,
|
|
'13, 13' : -0.54955657E+01,
|
|
'14, 1' : -0.85830337E-01,
|
|
'14, 2' : -0.16549838E+01,
|
|
'14, 3' : -0.59958890E+01,
|
|
'14, 4' : -0.55412072E+01,
|
|
'14, 14' : -0.77967653E+01,
|
|
'15, 1' : -0.85830337E-01,
|
|
'15, 2' : -0.16549838E+01,
|
|
'15, 3' : -0.59958890E+01,
|
|
'15, 4' : -0.55412072E+01,
|
|
'15, 14' : -0.25989218E+01,
|
|
'15, 15' : -0.77967653E+01,
|
|
'16, 1' : -0.85830337E-01,
|
|
'16, 2' : -0.16549838E+01,
|
|
'16, 3' : -0.59958890E+01,
|
|
'16, 4' : -0.55412072E+01,
|
|
'16, 14' : -0.25989218E+01,
|
|
'16, 15' : -0.25989218E+01,
|
|
'16, 16' : -0.77967653E+01,
|
|
'17, 17' : -0.77967653E+01,
|
|
'18, 18' : -0.77967653E+01,
|
|
'19, 19' : -0.77967653E+01,
|
|
},
|
|
'P.ezfio' : {
|
|
'1, 1' : -0.21831507E+03,
|
|
'2, 1' : -0.22134603E+02,
|
|
'2, 2' : -0.36364835E+02,
|
|
'3, 1' : 0.44923575E+01,
|
|
'3, 2' : -0.14255634E+01,
|
|
'3, 3' : -0.10487300E+02,
|
|
'4, 1' : -0.41907219E+01,
|
|
'4, 2' : -0.74616954E+01,
|
|
'4, 3' : -0.78357713E+01,
|
|
'4, 4' : -0.84016903E+01,
|
|
'5, 5' : -0.40816851E+02,
|
|
'6, 6' : -0.40816851E+02,
|
|
'7, 7' : -0.40816851E+02,
|
|
'8, 5' : -0.64532227E+01,
|
|
'8, 8' : -0.10314648E+02,
|
|
'9, 6' : -0.64532227E+01,
|
|
'9, 9' : -0.10314648E+02,
|
|
'10, 7' : -0.64532227E+01,
|
|
'10, 10' : -0.10314648E+02,
|
|
'11, 5' : -0.17235839E+01,
|
|
'11, 8' : -0.52420620E+01,
|
|
'11, 11' : -0.54955657E+01,
|
|
'12, 6' : -0.17235839E+01,
|
|
'12, 9' : -0.52420620E+01,
|
|
'12, 12' : -0.54955657E+01,
|
|
'13, 7' : -0.17235839E+01,
|
|
'13, 10' : -0.52420620E+01,
|
|
'13, 13' : -0.54955657E+01,
|
|
'14, 1' : -0.85830337E-01,
|
|
'14, 2' : -0.16549838E+01,
|
|
'14, 3' : -0.59958890E+01,
|
|
'14, 4' : -0.55412072E+01,
|
|
'14, 14' : -0.77967653E+01,
|
|
'15, 1' : -0.85830337E-01,
|
|
'15, 2' : -0.16549838E+01,
|
|
'15, 3' : -0.59958890E+01,
|
|
'15, 4' : -0.55412072E+01,
|
|
'15, 14' : -0.25989218E+01,
|
|
'15, 15' : -0.77967653E+01,
|
|
'16, 1' : -0.85830337E-01,
|
|
'16, 2' : -0.16549838E+01,
|
|
'16, 3' : -0.59958890E+01,
|
|
'16, 4' : -0.55412072E+01,
|
|
'16, 14' : -0.25989218E+01,
|
|
'16, 15' : -0.25989218E+01,
|
|
'16, 16' : -0.77967653E+01,
|
|
'17, 17' : -0.77967653E+01,
|
|
'18, 18' : -0.77967653E+01,
|
|
'19, 19' : -0.77967653E+01,
|
|
},
|
|
'PH2-.ezfio' : {
|
|
'1, 1' : -0.21904553E+03,
|
|
'2, 1' : -0.22329241E+02,
|
|
'2, 2' : -0.37095301E+02,
|
|
'3, 1' : 0.45192134E+01,
|
|
'3, 2' : -0.15586744E+01,
|
|
'3, 3' : -0.11216227E+02,
|
|
'4, 1' : -0.42199066E+01,
|
|
'4, 2' : -0.76687152E+01,
|
|
'4, 3' : -0.84512695E+01,
|
|
'4, 4' : -0.90922737E+01,
|
|
'5, 5' : -0.41541774E+02,
|
|
'6, 6' : -0.41550268E+02,
|
|
'7, 1' : 0.78471682E-02,
|
|
'7, 2' : 0.52394306E-01,
|
|
'7, 3' : 0.25675619E-01,
|
|
'7, 4' : 0.24714242E-01,
|
|
'7, 7' : -0.41549909E+02,
|
|
'8, 5' : -0.66781137E+01,
|
|
'8, 8' : -0.10985970E+02,
|
|
'9, 6' : -0.66867464E+01,
|
|
'9, 9' : -0.11073376E+02,
|
|
'10, 1' : 0.44686895E-03,
|
|
'10, 2' : 0.26755964E-01,
|
|
'10, 3' : 0.17241214E+00,
|
|
'10, 4' : 0.16595138E+00,
|
|
'10, 7' : -0.66863819E+01,
|
|
'10, 10' : -0.11069685E+02,
|
|
'11, 5' : -0.17867478E+01,
|
|
'11, 8' : -0.56507917E+01,
|
|
'11, 11' : -0.60417020E+01,
|
|
'12, 6' : -0.17897012E+01,
|
|
'12, 9' : -0.57269493E+01,
|
|
'12, 12' : -0.61629159E+01,
|
|
'13, 1' : 0.12020194E-03,
|
|
'13, 2' : 0.76316385E-02,
|
|
'13, 3' : 0.12344629E+00,
|
|
'13, 4' : 0.18469495E+00,
|
|
'13, 7' : -0.17895764E+01,
|
|
'13, 10' : -0.57237332E+01,
|
|
'13, 13' : -0.61577971E+01,
|
|
'14, 1' : -0.87131298E-01,
|
|
'14, 2' : -0.17198117E+01,
|
|
'14, 3' : -0.64384099E+01,
|
|
'14, 4' : -0.59827937E+01,
|
|
'14, 7' : 0.64092536E-02,
|
|
'14, 10' : 0.62248378E-01,
|
|
'14, 13' : 0.55404951E-01,
|
|
'14, 14' : -0.84140971E+01,
|
|
'15, 1' : -0.87143464E-01,
|
|
'15, 2' : -0.17226230E+01,
|
|
'15, 3' : -0.65083110E+01,
|
|
'15, 4' : -0.60677600E+01,
|
|
'15, 7' : 0.80271286E-02,
|
|
'15, 10' : 0.11100355E+00,
|
|
'15, 13' : 0.11276257E+00,
|
|
'15, 14' : -0.28234994E+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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'4, 2' : -0.92133334E+01,
|
|
'4, 3' : -0.96717109E+01,
|
|
'4, 4' : -0.10487197E+02,
|
|
'5, 5' : -0.47823867E+02,
|
|
'6, 6' : -0.47823867E+02,
|
|
'7, 1' : 0.59817667E-02,
|
|
'7, 2' : 0.38387738E-01,
|
|
'7, 3' : 0.19567209E-01,
|
|
'7, 4' : 0.18947132E-01,
|
|
'7, 7' : -0.47832077E+02,
|
|
'8, 5' : -0.80706330E+01,
|
|
'8, 8' : -0.12681460E+02,
|
|
'9, 6' : -0.80706330E+01,
|
|
'9, 9' : -0.12681460E+02,
|
|
'10, 1' : 0.37721890E-03,
|
|
'10, 2' : 0.20536254E-01,
|
|
'10, 3' : 0.12330254E+00,
|
|
'10, 4' : 0.12180382E+00,
|
|
'10, 7' : -0.80793692E+01,
|
|
'10, 10' : -0.12763740E+02,
|
|
'11, 5' : -0.20333912E+01,
|
|
'11, 8' : -0.62384543E+01,
|
|
'11, 11' : -0.66777867E+01,
|
|
'12, 6' : -0.20333912E+01,
|
|
'12, 9' : -0.62384543E+01,
|
|
'12, 12' : -0.66777867E+01,
|
|
'13, 1' : 0.94483518E-04,
|
|
'13, 2' : 0.55519605E-02,
|
|
'13, 3' : 0.86165383E-01,
|
|
'13, 4' : 0.13823411E+00,
|
|
'13, 7' : -0.20363423E+01,
|
|
'13, 10' : -0.63119114E+01,
|
|
'13, 13' : -0.68059530E+01,
|
|
'14, 1' : -0.12063833E+00,
|
|
'14, 2' : -0.21911912E+01,
|
|
'14, 3' : -0.74875842E+01,
|
|
'14, 4' : -0.69224170E+01,
|
|
'14, 7' : 0.52059208E-02,
|
|
'14, 10' : 0.46305836E-01,
|
|
'14, 13' : 0.40105263E-01,
|
|
'14, 14' : -0.97573761E+01,
|
|
'15, 1' : -0.12063833E+00,
|
|
'15, 2' : -0.21911912E+01,
|
|
'15, 3' : -0.74875842E+01,
|
|
'15, 4' : -0.69224170E+01,
|
|
'15, 7' : 0.52059208E-02,
|
|
'15, 10' : 0.46305836E-01,
|
|
'15, 13' : 0.40105263E-01,
|
|
'15, 14' : -0.32524587E+01,
|
|
'15, 15' : -0.97573761E+01,
|
|
'16, 1' : -0.12065311E+00,
|
|
'16, 2' : -0.21941534E+01,
|
|
'16, 3' : -0.75530629E+01,
|
|
'16, 4' : -0.70046620E+01,
|
|
'16, 7' : 0.18049182E-01,
|
|
'16, 10' : 0.20272387E+00,
|
|
'16, 13' : 0.19760994E+00,
|
|
'16, 14' : -0.32709377E+01,
|
|
'16, 15' : -0.32709377E+01,
|
|
'16, 16' : -0.99360874E+01,
|
|
'17, 17' : -0.97573761E+01,
|
|
'18, 5' : 0.90169194E-02,
|
|
'18, 8' : 0.80204061E-01,
|
|
'18, 11' : 0.69464353E-01,
|
|
'18, 18' : -0.98128131E+01,
|
|
'19, 6' : 0.90169194E-02,
|
|
'19, 9' : 0.80204061E-01,
|
|
'19, 12' : 0.69464353E-01,
|
|
'19, 19' : -0.98128131E+01,
|
|
'20, 1' : -0.47499978E+00,
|
|
'20, 2' : -0.10078820E+01,
|
|
'20, 3' : -0.23361277E+01,
|
|
'20, 4' : -0.30121640E+01,
|
|
'20, 7' : 0.70128490E+00,
|
|
'20, 10' : 0.32100211E+01,
|
|
'20, 13' : 0.39140557E+01,
|
|
'20, 14' : -0.10167801E+01,
|
|
'20, 15' : -0.10167801E+01,
|
|
'20, 16' : -0.41857833E+01,
|
|
'20, 20' : -0.75503802E+01,
|
|
'21, 1' : -0.19038090E+01,
|
|
'21, 2' : -0.34870672E+01,
|
|
'21, 3' : -0.45698448E+01,
|
|
'21, 4' : -0.56132196E+01,
|
|
'21, 7' : 0.71460075E+00,
|
|
'21, 10' : 0.26387440E+01,
|
|
'21, 13' : 0.37086909E+01,
|
|
'21, 14' : -0.32578606E+01,
|
|
'21, 15' : -0.32578606E+01,
|
|
'21, 16' : -0.42805663E+01,
|
|
'21, 20' : -0.48568026E+01,
|
|
'21, 21' : -0.62982056E+01,
|
|
'22, 5' : -0.18796204E+00,
|
|
'22, 8' : -0.12187252E+01,
|
|
'22, 11' : -0.15130116E+01,
|
|
'22, 18' : 0.24601664E+01,
|
|
'22, 22' : -0.67656034E+01,
|
|
'23, 6' : -0.18796204E+00,
|
|
'23, 9' : -0.12187252E+01,
|
|
'23, 12' : -0.15130116E+01,
|
|
'23, 19' : 0.24601664E+01,
|
|
'23, 23' : -0.67656034E+01,
|
|
'24, 1' : -0.57125133E+00,
|
|
'24, 2' : -0.14288390E+01,
|
|
'24, 3' : -0.31895771E+01,
|
|
'24, 4' : -0.27083778E+01,
|
|
'24, 7' : 0.13252103E+01,
|
|
'24, 10' : 0.43521729E+01,
|
|
'24, 13' : 0.18950325E+01,
|
|
'24, 14' : -0.11800426E+01,
|
|
'24, 15' : -0.11800426E+01,
|
|
'24, 16' : -0.45635820E+01,
|
|
'24, 20' : -0.14974576E+01,
|
|
'24, 21' : -0.13926167E+01,
|
|
'24, 24' : -0.77128897E+01,
|
|
},
|
|
'Si2.ezfio' : {
|
|
'1, 1' : -0.19317489E+03,
|
|
'2, 1' : -0.19640647E+02,
|
|
'2, 2' : -0.34370326E+02,
|
|
'3, 1' : 0.30731979E+01,
|
|
'3, 2' : -0.24165420E+01,
|
|
'3, 3' : -0.11803328E+02,
|
|
'4, 1' : -0.33827942E+01,
|
|
'4, 2' : -0.67845993E+01,
|
|
'4, 3' : -0.92923122E+01,
|
|
'4, 4' : -0.10004186E+02,
|
|
'5, 5' : -0.37815358E+02,
|
|
'6, 6' : -0.37815358E+02,
|
|
'7, 1' : 0.32956283E-01,
|
|
'7, 2' : 0.23156485E+00,
|
|
'7, 3' : 0.11628045E+00,
|
|
'7, 4' : 0.10546889E+00,
|
|
'7, 7' : -0.37851776E+02,
|
|
'8, 5' : -0.59227697E+01,
|
|
'8, 8' : -0.11410770E+02,
|
|
'9, 6' : -0.59227697E+01,
|
|
'9, 9' : -0.11410770E+02,
|
|
'10, 1' : 0.15894493E-02,
|
|
'10, 2' : 0.10848647E+00,
|
|
'10, 3' : 0.80632454E+00,
|
|
'10, 4' : 0.80971338E+00,
|
|
'10, 7' : -0.59582384E+01,
|
|
'10, 10' : -0.11833899E+02,
|
|
'11, 5' : -0.15597740E+01,
|
|
'11, 8' : -0.61045203E+01,
|
|
'11, 11' : -0.71647912E+01,
|
|
'12, 6' : -0.15597740E+01,
|
|
'12, 9' : -0.61045203E+01,
|
|
'12, 12' : -0.71647912E+01,
|
|
'13, 1' : 0.42302355E-03,
|
|
'13, 2' : 0.29944512E-01,
|
|
'13, 3' : 0.60694393E+00,
|
|
'13, 4' : 0.11320647E+01,
|
|
'13, 7' : -0.15714000E+01,
|
|
'13, 10' : -0.65243528E+01,
|
|
'13, 13' : -0.82684493E+01,
|
|
'14, 1' : -0.60646982E-01,
|
|
'14, 2' : -0.14366022E+01,
|
|
'14, 3' : -0.68375560E+01,
|
|
'14, 4' : -0.65588796E+01,
|
|
'14, 7' : 0.26998513E-01,
|
|
'14, 10' : 0.33464544E+00,
|
|
'14, 13' : 0.33087051E+00,
|
|
'14, 14' : -0.91958162E+01,
|
|
'15, 1' : -0.60646982E-01,
|
|
'15, 2' : -0.14366022E+01,
|
|
'15, 3' : -0.68375560E+01,
|
|
'15, 4' : -0.65588796E+01,
|
|
'15, 7' : 0.26998513E-01,
|
|
'15, 10' : 0.33464544E+00,
|
|
'15, 13' : 0.33087051E+00,
|
|
'15, 14' : -0.30652721E+01,
|
|
'15, 15' : -0.91958162E+01,
|
|
'16, 1' : -0.60684540E-01,
|
|
'16, 2' : -0.14470663E+01,
|
|
'16, 3' : -0.71787839E+01,
|
|
'16, 4' : -0.70451608E+01,
|
|
'16, 7' : 0.87445479E-01,
|
|
'16, 10' : 0.12742038E+01,
|
|
'16, 13' : 0.14348058E+01,
|
|
'16, 14' : -0.31846358E+01,
|
|
'16, 15' : -0.31846358E+01,
|
|
'16, 16' : -0.10176825E+02,
|
|
'17, 17' : -0.91958162E+01,
|
|
'18, 5' : 0.46762797E-01,
|
|
'18, 8' : 0.57962290E+00,
|
|
'18, 11' : 0.57308453E+00,
|
|
'18, 18' : -0.95539073E+01,
|
|
'19, 6' : 0.46762797E-01,
|
|
'19, 9' : 0.57962290E+00,
|
|
'19, 12' : 0.57308453E+00,
|
|
'19, 19' : -0.95539073E+01,
|
|
'20, 3' : -0.78145769E-01,
|
|
'20, 4' : -0.60482982E+00,
|
|
'20, 7' : 0.22563458E-07,
|
|
'20, 10' : 0.14972753E+00,
|
|
'20, 13' : 0.16215226E+01,
|
|
'20, 14' : -0.39385716E-03,
|
|
'20, 15' : -0.39385716E-03,
|
|
'20, 16' : -0.54383096E+00,
|
|
'20, 20' : -0.19317489E+03,
|
|
'21, 2' : -0.43490963E-05,
|
|
'21, 3' : -0.21660105E+00,
|
|
'21, 4' : -0.12886775E+01,
|
|
'21, 7' : 0.38752587E-04,
|
|
'21, 10' : 0.42152001E+00,
|
|
'21, 13' : 0.33330192E+01,
|
|
'21, 14' : -0.16073498E-01,
|
|
'21, 15' : -0.16073498E-01,
|
|
'21, 16' : -0.13267243E+01,
|
|
'21, 20' : -0.19640647E+02,
|
|
'21, 21' : -0.34370326E+02,
|
|
'22, 1' : -0.78145769E-01,
|
|
'22, 2' : -0.21660105E+00,
|
|
'22, 3' : -0.14407279E+01,
|
|
'22, 4' : -0.28658805E+01,
|
|
'22, 7' : 0.19059198E+00,
|
|
'22, 10' : 0.22203281E+01,
|
|
'22, 13' : 0.53855016E+01,
|
|
'22, 14' : -0.62356426E+00,
|
|
'22, 15' : -0.62356426E+00,
|
|
'22, 16' : -0.36895543E+01,
|
|
'22, 20' : 0.30731979E+01,
|
|
'22, 21' : -0.24165420E+01,
|
|
'22, 22' : -0.11803328E+02,
|
|
'23, 1' : -0.60482982E+00,
|
|
'23, 2' : -0.12886775E+01,
|
|
'23, 3' : -0.28658805E+01,
|
|
'23, 4' : -0.44350096E+01,
|
|
'23, 7' : 0.44171789E+00,
|
|
'23, 10' : 0.27499231E+01,
|
|
'23, 13' : 0.59089749E+01,
|
|
'23, 14' : -0.18525681E+01,
|
|
'23, 15' : -0.18525681E+01,
|
|
'23, 16' : -0.41693927E+01,
|
|
'23, 20' : -0.33827942E+01,
|
|
'23, 21' : -0.67845993E+01,
|
|
'23, 22' : -0.92923122E+01,
|
|
'23, 23' : -0.10004186E+02,
|
|
'24, 5' : -0.94833370E-05,
|
|
'24, 8' : -0.43068584E-01,
|
|
'24, 11' : -0.32451410E+00,
|
|
'24, 18' : 0.22586142E+00,
|
|
'24, 24' : -0.37815358E+02,
|
|
'25, 6' : -0.94833370E-05,
|
|
'25, 9' : -0.43068584E-01,
|
|
'25, 12' : -0.32451410E+00,
|
|
'25, 19' : 0.22586142E+00,
|
|
'25, 25' : -0.37815358E+02,
|
|
'26, 1' : -0.22563458E-07,
|
|
'26, 2' : -0.38752587E-04,
|
|
'26, 3' : -0.19059198E+00,
|
|
'26, 4' : -0.44171789E+00,
|
|
'26, 7' : 0.21859297E-03,
|
|
'26, 10' : 0.38348048E+00,
|
|
'26, 13' : 0.75421510E+00,
|
|
'26, 14' : -0.17381628E-01,
|
|
'26, 15' : -0.17381628E-01,
|
|
'26, 16' : -0.97226175E+00,
|
|
'26, 20' : -0.32956283E-01,
|
|
'26, 21' : -0.23156485E+00,
|
|
'26, 22' : -0.11628045E+00,
|
|
'26, 23' : -0.10546889E+00,
|
|
'26, 26' : -0.37851776E+02,
|
|
'27, 5' : -0.43068584E-01,
|
|
'27, 8' : -0.63994933E+00,
|
|
'27, 11' : -0.17598860E+01,
|
|
'27, 18' : 0.17107888E+01,
|
|
'27, 24' : -0.59227697E+01,
|
|
'27, 27' : -0.11410770E+02,
|
|
'28, 6' : -0.43068584E-01,
|
|
'28, 9' : -0.63994933E+00,
|
|
'28, 12' : -0.17598860E+01,
|
|
'28, 19' : 0.17107888E+01,
|
|
'28, 25' : -0.59227697E+01,
|
|
'28, 28' : -0.11410770E+02,
|
|
'29, 1' : -0.14972753E+00,
|
|
'29, 2' : -0.42152001E+00,
|
|
'29, 3' : -0.22203281E+01,
|
|
'29, 4' : -0.27499231E+01,
|
|
'29, 7' : 0.38348048E+00,
|
|
'29, 10' : 0.33334390E+01,
|
|
'29, 13' : 0.33465036E+01,
|
|
'29, 14' : -0.90146178E+00,
|
|
'29, 15' : -0.90146178E+00,
|
|
'29, 16' : -0.48238053E+01,
|
|
'29, 20' : -0.15894493E-02,
|
|
'29, 21' : -0.10848647E+00,
|
|
'29, 22' : -0.80632454E+00,
|
|
'29, 23' : -0.80971338E+00,
|
|
'29, 26' : -0.59582384E+01,
|
|
'29, 29' : -0.11833899E+02,
|
|
'30, 5' : -0.32451410E+00,
|
|
'30, 8' : -0.17598860E+01,
|
|
'30, 11' : -0.33502443E+01,
|
|
'30, 18' : 0.20661074E+01,
|
|
'30, 24' : -0.15597740E+01,
|
|
'30, 27' : -0.61045203E+01,
|
|
'30, 30' : -0.71647912E+01,
|
|
'31, 6' : -0.32451410E+00,
|
|
'31, 9' : -0.17598860E+01,
|
|
'31, 12' : -0.33502443E+01,
|
|
'31, 19' : 0.20661074E+01,
|
|
'31, 25' : -0.15597740E+01,
|
|
'31, 28' : -0.61045203E+01,
|
|
'31, 31' : -0.71647912E+01,
|
|
'32, 1' : -0.16215226E+01,
|
|
'32, 2' : -0.33330192E+01,
|
|
'32, 3' : -0.53855016E+01,
|
|
'32, 4' : -0.59089749E+01,
|
|
'32, 7' : 0.75421510E+00,
|
|
'32, 10' : 0.33465036E+01,
|
|
'32, 13' : 0.30476136E+01,
|
|
'32, 14' : -0.37375109E+01,
|
|
'32, 15' : -0.37375109E+01,
|
|
'32, 16' : -0.49752183E+01,
|
|
'32, 20' : -0.42302355E-03,
|
|
'32, 21' : -0.29944512E-01,
|
|
'32, 22' : -0.60694393E+00,
|
|
'32, 23' : -0.11320647E+01,
|
|
'32, 26' : -0.15714000E+01,
|
|
'32, 29' : -0.65243528E+01,
|
|
'32, 32' : -0.82684493E+01,
|
|
'33, 1' : -0.39385716E-03,
|
|
'33, 2' : -0.16073498E-01,
|
|
'33, 3' : -0.62356426E+00,
|
|
'33, 4' : -0.18525681E+01,
|
|
'33, 7' : 0.17381628E-01,
|
|
'33, 10' : 0.90146178E+00,
|
|
'33, 13' : 0.37375109E+01,
|
|
'33, 14' : -0.71460562E+00,
|
|
'33, 15' : -0.23820187E+00,
|
|
'33, 16' : -0.16717943E+01,
|
|
'33, 20' : -0.60646982E-01,
|
|
'33, 21' : -0.14366022E+01,
|
|
'33, 22' : -0.68375560E+01,
|
|
'33, 23' : -0.65588796E+01,
|
|
'33, 26' : -0.26998513E-01,
|
|
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'29, 23' : 0.14099954E-01,
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'29, 24' : -0.17919076E-01,
|
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'29, 25' : -0.73650954E+00,
|
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'29, 26' : -0.68918874E+00,
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|
'29, 28' : -0.29830110E+00,
|
|
'29, 29' : -0.60775883E+01,
|
|
},
|
|
'SiH2_3B1.ezfio' : {
|
|
'1, 1' : -0.19064440E+03,
|
|
'2, 1' : -0.18981113E+02,
|
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'2, 2' : -0.31839835E+02,
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'3, 1' : 0.30051045E+01,
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'3, 2' : -0.19309709E+01,
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'3, 3' : -0.92683749E+01,
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'4, 1' : -0.32922224E+01,
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'4, 2' : -0.61130666E+01,
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'4, 3' : -0.71187376E+01,
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'4, 4' : -0.74401959E+01,
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'5, 5' : -0.35290761E+02,
|
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'6, 6' : -0.35304566E+02,
|
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'7, 1' : 0.56748022E-02,
|
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'7, 2' : 0.39873571E-01,
|
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'7, 3' : 0.20021925E-01,
|
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'7, 4' : 0.18159764E-01,
|
|
'7, 7' : -0.35295692E+02,
|
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'8, 5' : -0.51862637E+01,
|
|
'8, 8' : -0.89490703E+01,
|
|
'9, 6' : -0.51997072E+01,
|
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'9, 9' : -0.90950038E+01,
|
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'10, 1' : 0.27369016E-03,
|
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'10, 2' : 0.18680437E-01,
|
|
'10, 3' : 0.13404851E+00,
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'10, 4' : 0.12556648E+00,
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'10, 7' : -0.51910656E+01,
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'10, 10' : -0.90011970E+01,
|
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'11, 5' : -0.13577040E+01,
|
|
'11, 8' : -0.45679962E+01,
|
|
'11, 11' : -0.49060289E+01,
|
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'12, 6' : -0.13621082E+01,
|
|
'12, 9' : -0.46818044E+01,
|
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'12, 12' : -0.50563949E+01,
|
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'13, 1' : 0.72841193E-04,
|
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'13, 2' : 0.51561297E-02,
|
|
'13, 3' : 0.89450858E-01,
|
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'13, 4' : 0.12447169E+00,
|
|
'13, 7' : -0.13592772E+01,
|
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'13, 10' : -0.46086479E+01,
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'13, 13' : -0.49597389E+01,
|
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'14, 1' : -0.57226003E-01,
|
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'14, 2' : -0.12405778E+01,
|
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'14, 3' : -0.52151860E+01,
|
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'14, 4' : -0.48733359E+01,
|
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'14, 7' : 0.43491689E-02,
|
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'14, 13' : 0.38581205E-01,
|
|
'14, 14' : -0.68231180E+01,
|
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'15, 1' : -0.57240240E-01,
|
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'15, 2' : -0.12445444E+01,
|
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'15, 3' : -0.53266893E+01,
|
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'15, 4' : -0.50005200E+01,
|
|
'15, 7' : 0.62698303E-02,
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'15, 14' : -0.23020974E+01,
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'15, 15' : -0.70844720E+01,
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'16, 1' : -0.57231088E-01,
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'16, 2' : -0.12419946E+01,
|
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'16, 3' : -0.52550144E+01,
|
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'16, 4' : -0.49187654E+01,
|
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|
|
'16, 10' : 0.15818146E+00,
|
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'16, 13' : 0.13740443E+00,
|
|
'16, 14' : -0.22842758E+01,
|
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'16, 15' : -0.23459361E+01,
|
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'16, 16' : -0.68946584E+01,
|
|
'17, 17' : -0.69062922E+01,
|
|
'18, 5' : 0.75329815E-02,
|
|
'18, 8' : 0.78749117E-01,
|
|
'18, 11' : 0.66824608E-01,
|
|
'18, 18' : -0.68528274E+01,
|
|
'19, 6' : 0.10859665E-01,
|
|
'19, 9' : 0.18438042E+00,
|
|
'19, 12' : 0.17185865E+00,
|
|
'19, 19' : -0.70378082E+01,
|
|
'20, 1' : -0.26080211E+00,
|
|
'20, 2' : -0.64616557E+00,
|
|
'20, 3' : -0.20220662E+01,
|
|
'20, 4' : -0.22401175E+01,
|
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'20, 6' : -0.49188055E+00,
|
|
'20, 7' : 0.29532197E+00,
|
|
'20, 9' : -0.25533457E+01,
|
|
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|
|
'20, 12' : -0.23960008E+01,
|
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|
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'20, 14' : -0.65118937E+00,
|
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|
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|
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|
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|
|
'21, 1' : -0.15404375E+01,
|
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'21, 2' : -0.29290265E+01,
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|
|
'21, 4' : -0.44751996E+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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'22, 11' : -0.95945233E+00,
|
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'22, 17' : -0.18265318E+01,
|
|
'22, 18' : 0.10945341E+01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
'23, 6' : 0.67698643E+00,
|
|
'23, 7' : -0.48063738E+00,
|
|
'23, 9' : 0.20423831E+01,
|
|
'23, 10' : -0.18362640E+01,
|
|
'23, 12' : 0.40901570E+00,
|
|
'23, 13' : -0.82110914E+00,
|
|
'23, 14' : 0.51243481E+00,
|
|
'23, 15' : 0.13019749E+01,
|
|
'23, 16' : 0.15548194E+01,
|
|
'23, 19' : -0.19145722E+01,
|
|
'23, 20' : 0.97794008E+00,
|
|
'23, 21' : 0.91433575E+00,
|
|
'23, 23' : -0.63459973E+01,
|
|
'24, 1' : -0.12566706E+00,
|
|
'24, 2' : -0.42310023E+00,
|
|
'24, 3' : -0.11405907E+01,
|
|
'24, 4' : -0.78040376E+00,
|
|
'24, 6' : -0.47889707E+00,
|
|
'24, 7' : 0.16194548E+00,
|
|
'24, 9' : -0.18221698E+01,
|
|
'24, 10' : 0.71623503E-01,
|
|
'24, 12' : -0.80929126E+00,
|
|
'24, 13' : -0.47507948E+00,
|
|
'24, 14' : -0.30459056E+00,
|
|
'24, 15' : -0.20295022E+01,
|
|
'24, 16' : 0.34057326E+00,
|
|
'24, 19' : -0.37675296E-01,
|
|
'24, 20' : -0.56842005E+00,
|
|
'24, 21' : -0.53140091E+00,
|
|
'24, 23' : 0.28380953E+00,
|
|
'24, 24' : -0.60316476E+01,
|
|
'25, 1' : -0.26080211E+00,
|
|
'25, 2' : -0.64616557E+00,
|
|
'25, 3' : -0.20220662E+01,
|
|
'25, 4' : -0.22401175E+01,
|
|
'25, 6' : 0.49188055E+00,
|
|
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|
|
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|
|
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|
|
'25, 12' : 0.23960008E+01,
|
|
'25, 13' : 0.14374253E+01,
|
|
'25, 14' : -0.65118937E+00,
|
|
'25, 15' : -0.29867321E+01,
|
|
'25, 16' : -0.14920943E+01,
|
|
'25, 19' : -0.24250024E+01,
|
|
'25, 20' : -0.36662810E-01,
|
|
'25, 21' : -0.53711766E+00,
|
|
'25, 23' : 0.38474052E-01,
|
|
'25, 24' : -0.41225153E-02,
|
|
'25, 25' : -0.65501798E+01,
|
|
'26, 1' : -0.15404375E+01,
|
|
'26, 2' : -0.29290265E+01,
|
|
'26, 3' : -0.39968195E+01,
|
|
'26, 4' : -0.44751996E+01,
|
|
'26, 6' : 0.66847852E+00,
|
|
'26, 7' : 0.40740211E+00,
|
|
'26, 9' : 0.24301653E+01,
|
|
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|
|
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|
|
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|
|
'26, 14' : -0.24985575E+01,
|
|
'26, 15' : -0.35314852E+01,
|
|
'26, 16' : -0.28844649E+01,
|
|
'26, 19' : -0.10575205E+01,
|
|
'26, 20' : -0.53711766E+00,
|
|
'26, 21' : -0.17750761E+01,
|
|
'26, 23' : 0.53461557E+00,
|
|
'26, 24' : -0.87558918E-01,
|
|
'26, 25' : -0.41842981E+01,
|
|
'26, 26' : -0.54871585E+01,
|
|
'27, 5' : -0.12496234E+00,
|
|
'27, 8' : -0.10196895E+01,
|
|
'27, 11' : -0.95945233E+00,
|
|
'27, 17' : 0.18265318E+01,
|
|
'27, 18' : 0.10945341E+01,
|
|
'27, 22' : -0.17873381E-02,
|
|
'27, 27' : -0.58620266E+01,
|
|
'28, 1' : -0.21027202E+00,
|
|
'28, 2' : -0.70854503E+00,
|
|
'28, 3' : -0.19201107E+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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|
|
'28, 13' : 0.82110914E+00,
|
|
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|
|
'28, 15' : -0.13019749E+01,
|
|
'28, 16' : -0.15548194E+01,
|
|
'28, 19' : -0.19145722E+01,
|
|
'28, 20' : -0.38474052E-01,
|
|
'28, 21' : -0.53461557E+00,
|
|
'28, 23' : 0.33636511E-01,
|
|
'28, 24' : -0.29005911E-02,
|
|
'28, 25' : -0.97794008E+00,
|
|
'28, 26' : -0.91433575E+00,
|
|
'28, 28' : -0.63459973E+01,
|
|
'29, 1' : -0.12566706E+00,
|
|
'29, 2' : -0.42310023E+00,
|
|
'29, 3' : -0.11405907E+01,
|
|
'29, 4' : -0.78040376E+00,
|
|
'29, 6' : 0.47889707E+00,
|
|
'29, 7' : 0.16194548E+00,
|
|
'29, 9' : 0.18221698E+01,
|
|
'29, 10' : 0.71623503E-01,
|
|
'29, 12' : 0.80929126E+00,
|
|
'29, 13' : -0.47507948E+00,
|
|
'29, 14' : -0.30459056E+00,
|
|
'29, 15' : -0.20295022E+01,
|
|
'29, 16' : 0.34057326E+00,
|
|
'29, 19' : 0.37675296E-01,
|
|
'29, 20' : -0.41225153E-02,
|
|
'29, 21' : -0.87558918E-01,
|
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'29, 23' : 0.29005911E-02,
|
|
'29, 24' : -0.24597424E-02,
|
|
'29, 25' : -0.56842005E+00,
|
|
'29, 26' : -0.53140091E+00,
|
|
'29, 28' : -0.28380953E+00,
|
|
'29, 29' : -0.60316476E+01,
|
|
},
|
|
'SiH2-.ezfio' : {
|
|
'1, 1' : -0.19061215E+03,
|
|
'2, 1' : -0.18972708E+02,
|
|
'2, 2' : -0.31807587E+02,
|
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|
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'3, 2' : -0.19247830E+01,
|
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'3, 3' : -0.92378409E+01,
|
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'4, 1' : -0.32910682E+01,
|
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'4, 2' : -0.61045090E+01,
|
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'4, 3' : -0.70951498E+01,
|
|
'4, 4' : -0.74201999E+01,
|
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'5, 5' : -0.35259327E+02,
|
|
'6, 6' : -0.35267653E+02,
|
|
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|
|
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|
|
'7, 3' : 0.24868806E-01,
|
|
'7, 4' : 0.22556257E-01,
|
|
'7, 7' : -0.35267296E+02,
|
|
'8, 5' : -0.51775971E+01,
|
|
'8, 8' : -0.89261478E+01,
|
|
'9, 6' : -0.51857060E+01,
|
|
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|
|
'10, 1' : 0.33993770E-03,
|
|
'10, 2' : 0.23202137E-01,
|
|
'10, 3' : 0.16841005E+00,
|
|
'10, 4' : 0.16005730E+00,
|
|
'10, 7' : -0.51853585E+01,
|
|
'10, 10' : -0.90128412E+01,
|
|
'11, 5' : -0.13553647E+01,
|
|
'11, 8' : -0.45563621E+01,
|
|
'11, 11' : -0.48963466E+01,
|
|
'12, 6' : -0.13580220E+01,
|
|
'12, 9' : -0.46300578E+01,
|
|
'12, 12' : -0.50012409E+01,
|
|
'13, 1' : 0.90472628E-04,
|
|
'13, 2' : 0.64042470E-02,
|
|
'13, 3' : 0.11505832E+00,
|
|
'13, 4' : 0.16593387E+00,
|
|
'13, 7' : -0.13579081E+01,
|
|
'13, 10' : -0.46268995E+01,
|
|
'13, 13' : -0.49967456E+01,
|
|
'14, 1' : -0.57183169E-01,
|
|
'14, 2' : -0.12382919E+01,
|
|
'14, 3' : -0.52012502E+01,
|
|
'14, 4' : -0.48609872E+01,
|
|
'14, 7' : 0.54594789E-02,
|
|
'14, 10' : 0.58673532E-01,
|
|
'14, 13' : 0.50847188E-01,
|
|
'14, 14' : -0.68063323E+01,
|
|
'15, 1' : -0.57191756E-01,
|
|
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|
|
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|
|
'15, 4' : -0.49437732E+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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