10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-28 16:12:26 +02:00
quantum_package/src/MonoInts/tests/ao_mono.ref

50554 lines
1.4 MiB

data = {
'AlCl.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.25361631E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : -0.16585501E-01,
'3, 2' : 0.19729420E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.30628368E-01,
'4, 2' : 0.24054536E+00,
'4, 3' : 0.85580952E+00,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.26300978E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.26300978E+00,
'9, 9' : 0.10000000E+01,
'10, 7' : 0.26300978E+00,
'10, 10' : 0.10000000E+01,
'11, 5' : 0.69338135E-01,
'11, 8' : 0.62285807E+00,
'11, 11' : 0.10000000E+01,
'12, 6' : 0.69338135E-01,
'12, 9' : 0.62285807E+00,
'12, 12' : 0.10000000E+01,
'13, 7' : 0.69338135E-01,
'13, 10' : 0.62285807E+00,
'13, 13' : 0.10000000E+01,
'14, 1' : 0.91082553E-03,
'14, 2' : 0.62373394E-01,
'14, 3' : 0.65138459E+00,
'14, 4' : 0.70020011E+00,
'14, 14' : 0.10000000E+01,
'15, 1' : 0.91082553E-03,
'15, 2' : 0.62373394E-01,
'15, 3' : 0.65138459E+00,
'15, 4' : 0.70020011E+00,
'15, 14' : 0.33333333E+00,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.91082553E-03,
'16, 2' : 0.62373394E-01,
'16, 3' : 0.65138459E+00,
'16, 4' : 0.70020011E+00,
'16, 14' : 0.33333333E+00,
'16, 15' : 0.33333333E+00,
'16, 16' : 0.10000000E+01,
'17, 17' : 0.10000000E+01,
'18, 18' : 0.10000000E+01,
'19, 19' : 0.10000000E+01,
'20, 3' : 0.25948444E-02,
'20, 4' : 0.69012964E-02,
'20, 10' : 0.53649624E-02,
'20, 13' : 0.14160140E-01,
'20, 14' : 0.15971045E-04,
'20, 15' : 0.15971045E-04,
'20, 16' : 0.13957188E-01,
'20, 20' : 0.10000000E+01,
'21, 2' : 0.38609456E-06,
'21, 3' : 0.19961734E-01,
'21, 4' : 0.49290687E-01,
'21, 7' : 0.63538086E-05,
'21, 10' : 0.40700828E-01,
'21, 13' : 0.99348440E-01,
'21, 14' : 0.10119498E-02,
'21, 15' : 0.10119498E-02,
'21, 16' : 0.99142715E-01,
'21, 20' : 0.27630611E+00,
'21, 21' : 0.10000000E+01,
'22, 1' : 0.28635597E-04,
'22, 2' : 0.14142807E-02,
'22, 3' : 0.10838653E+00,
'22, 4' : 0.19859693E+00,
'22, 7' : 0.33187157E-02,
'22, 10' : 0.19547415E+00,
'22, 13' : 0.36118163E+00,
'22, 14' : 0.28247579E-01,
'22, 15' : 0.28247579E-01,
'22, 16' : 0.35808284E+00,
'22, 20' : -0.48374503E-01,
'22, 21' : 0.17857054E+00,
'22, 22' : 0.10000000E+01,
'23, 1' : 0.27322129E-02,
'23, 2' : 0.27159316E-01,
'23, 3' : 0.22917711E+00,
'23, 4' : 0.35594217E+00,
'23, 7' : 0.24954659E-01,
'23, 10' : 0.32561903E+00,
'23, 13' : 0.55565848E+00,
'23, 14' : 0.11360210E+00,
'23, 15' : 0.11360210E+00,
'23, 16' : 0.48939243E+00,
'23, 20' : 0.46312316E-01,
'23, 21' : 0.30758024E+00,
'23, 22' : 0.84578581E+00,
'23, 23' : 0.10000000E+01,
'24, 5' : 0.16182114E-05,
'24, 8' : 0.43818487E-02,
'24, 11' : 0.10550466E-01,
'24, 18' : 0.18023058E-01,
'24, 24' : 0.10000000E+01,
'25, 6' : 0.16182114E-05,
'25, 9' : 0.43818487E-02,
'25, 12' : 0.10550466E-01,
'25, 19' : 0.18023058E-01,
'25, 25' : 0.10000000E+01,
'26, 2' : -0.38250259E-05,
'26, 3' : -0.11928603E-01,
'26, 4' : -0.11186249E-01,
'26, 7' : -0.32005393E-04,
'26, 10' : -0.24281154E-01,
'26, 13' : -0.10261234E-01,
'26, 14' : -0.76416283E-03,
'26, 15' : -0.76416283E-03,
'26, 16' : -0.41808637E-01,
'26, 26' : 0.10000000E+01,
'27, 5' : 0.80902411E-03,
'27, 8' : 0.54658731E-01,
'27, 11' : 0.10516212E+00,
'27, 18' : 0.16862834E+00,
'27, 24' : 0.34025670E+00,
'27, 27' : 0.10000000E+01,
'28, 6' : 0.80902411E-03,
'28, 9' : 0.54658731E-01,
'28, 12' : 0.10516212E+00,
'28, 19' : 0.16862834E+00,
'28, 25' : 0.34025670E+00,
'28, 28' : 0.10000000E+01,
'29, 1' : -0.12456390E-03,
'29, 2' : -0.44008038E-02,
'29, 3' : -0.13242753E+00,
'29, 4' : -0.11113987E+00,
'29, 7' : -0.89978477E-02,
'29, 10' : -0.22642486E+00,
'29, 13' : -0.86358284E-01,
'29, 14' : -0.33252569E-01,
'29, 15' : -0.33252569E-01,
'29, 16' : -0.30186330E+00,
'29, 26' : 0.34025670E+00,
'29, 29' : 0.10000000E+01,
'30, 5' : 0.17656924E-01,
'30, 8' : 0.20701963E+00,
'30, 11' : 0.35537890E+00,
'30, 18' : 0.37585153E+00,
'30, 24' : 0.89549746E-01,
'30, 27' : 0.61936990E+00,
'30, 30' : 0.10000000E+01,
'31, 6' : 0.17656924E-01,
'31, 9' : 0.20701963E+00,
'31, 12' : 0.35537890E+00,
'31, 19' : 0.37585153E+00,
'31, 25' : 0.89549746E-01,
'31, 28' : 0.61936990E+00,
'31, 31' : 0.10000000E+01,
'32, 1' : -0.13234180E-01,
'32, 2' : -0.11100484E+00,
'32, 3' : -0.42745337E+00,
'32, 4' : -0.37147182E+00,
'32, 7' : -0.68154393E-01,
'32, 10' : -0.43369134E+00,
'32, 13' : -0.16832759E+00,
'32, 14' : -0.25316431E+00,
'32, 15' : -0.25316431E+00,
'32, 16' : -0.45735688E+00,
'32, 26' : 0.89549746E-01,
'32, 29' : 0.61936990E+00,
'32, 32' : 0.10000000E+01,
'33, 1' : 0.54803012E-06,
'33, 2' : 0.26504883E-03,
'33, 3' : 0.78780157E-01,
'33, 4' : 0.17772379E+00,
'33, 7' : 0.77569667E-03,
'33, 10' : 0.13938796E+00,
'33, 13' : 0.33358749E+00,
'33, 14' : 0.50953070E-01,
'33, 15' : 0.16984357E-01,
'33, 16' : 0.27825956E+00,
'33, 20' : 0.25922172E-02,
'33, 21' : 0.11047959E+00,
'33, 22' : 0.68121071E+00,
'33, 23' : 0.69505095E+00,
'33, 33' : 0.10000000E+01,
'34, 1' : 0.54803012E-06,
'34, 2' : 0.26504883E-03,
'34, 3' : 0.78780157E-01,
'34, 4' : 0.17772379E+00,
'34, 7' : 0.77569667E-03,
'34, 10' : 0.13938796E+00,
'34, 13' : 0.33358749E+00,
'34, 14' : 0.16984357E-01,
'34, 15' : 0.50953070E-01,
'34, 16' : 0.27825956E+00,
'34, 20' : 0.25922172E-02,
'34, 21' : 0.11047959E+00,
'34, 22' : 0.68121071E+00,
'34, 23' : 0.69505095E+00,
'34, 33' : 0.33333333E+00,
'34, 34' : 0.10000000E+01,
'35, 1' : 0.20142837E-03,
'35, 2' : 0.79238203E-02,
'35, 3' : 0.18058780E+00,
'35, 4' : 0.21549276E+00,
'35, 7' : 0.16175459E-01,
'35, 10' : 0.29942241E+00,
'35, 13' : 0.32809947E+00,
'35, 14' : 0.42909389E-01,
'35, 15' : 0.42909389E-01,
'35, 16' : 0.40775872E+00,
'35, 20' : 0.25922172E-02,
'35, 21' : 0.11047959E+00,
'35, 22' : 0.68121071E+00,
'35, 23' : 0.69505095E+00,
'35, 33' : 0.33333333E+00,
'35, 34' : 0.33333333E+00,
'35, 35' : 0.10000000E+01,
'36, 17' : 0.50953070E-01,
'36, 36' : 0.10000000E+01,
'37, 5' : -0.23986283E-02,
'37, 8' : -0.84730215E-01,
'37, 11' : -0.57644230E-01,
'37, 18' : -0.19595200E+00,
'37, 37' : 0.10000000E+01,
'38, 6' : -0.23986283E-02,
'38, 9' : -0.84730215E-01,
'38, 12' : -0.57644230E-01,
'38, 19' : -0.19595200E+00,
'38, 38' : 0.10000000E+01,
},
'Al.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.25361631E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : -0.16585501E-01,
'3, 2' : 0.19729420E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.30628368E-01,
'4, 2' : 0.24054536E+00,
'4, 3' : 0.85580952E+00,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.26300978E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.26300978E+00,
'9, 9' : 0.10000000E+01,
'10, 7' : 0.26300978E+00,
'10, 10' : 0.10000000E+01,
'11, 5' : 0.69338135E-01,
'11, 8' : 0.62285807E+00,
'11, 11' : 0.10000000E+01,
'12, 6' : 0.69338135E-01,
'12, 9' : 0.62285807E+00,
'12, 12' : 0.10000000E+01,
'13, 7' : 0.69338135E-01,
'13, 10' : 0.62285807E+00,
'13, 13' : 0.10000000E+01,
'14, 1' : 0.91082553E-03,
'14, 2' : 0.62373394E-01,
'14, 3' : 0.65138459E+00,
'14, 4' : 0.70020011E+00,
'14, 14' : 0.10000000E+01,
'15, 1' : 0.91082553E-03,
'15, 2' : 0.62373394E-01,
'15, 3' : 0.65138459E+00,
'15, 4' : 0.70020011E+00,
'15, 14' : 0.33333333E+00,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.91082553E-03,
'16, 2' : 0.62373394E-01,
'16, 3' : 0.65138459E+00,
'16, 4' : 0.70020011E+00,
'16, 14' : 0.33333333E+00,
'16, 15' : 0.33333333E+00,
'16, 16' : 0.10000000E+01,
'17, 17' : 0.10000000E+01,
'18, 18' : 0.10000000E+01,
'19, 19' : 0.10000000E+01,
},
'Al+.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.25361631E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : -0.16585501E-01,
'3, 2' : 0.19729420E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.30628368E-01,
'4, 2' : 0.24054536E+00,
'4, 3' : 0.85580952E+00,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.26300978E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.26300978E+00,
'9, 9' : 0.10000000E+01,
'10, 7' : 0.26300978E+00,
'10, 10' : 0.10000000E+01,
'11, 5' : 0.69338135E-01,
'11, 8' : 0.62285807E+00,
'11, 11' : 0.10000000E+01,
'12, 6' : 0.69338135E-01,
'12, 9' : 0.62285807E+00,
'12, 12' : 0.10000000E+01,
'13, 7' : 0.69338135E-01,
'13, 10' : 0.62285807E+00,
'13, 13' : 0.10000000E+01,
'14, 1' : 0.91082553E-03,
'14, 2' : 0.62373394E-01,
'14, 3' : 0.65138459E+00,
'14, 4' : 0.70020011E+00,
'14, 14' : 0.10000000E+01,
'15, 1' : 0.91082553E-03,
'15, 2' : 0.62373394E-01,
'15, 3' : 0.65138459E+00,
'15, 4' : 0.70020011E+00,
'15, 14' : 0.33333333E+00,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.91082553E-03,
'16, 2' : 0.62373394E-01,
'16, 3' : 0.65138459E+00,
'16, 4' : 0.70020011E+00,
'16, 14' : 0.33333333E+00,
'16, 15' : 0.33333333E+00,
'16, 16' : 0.10000000E+01,
'17, 17' : 0.10000000E+01,
'18, 18' : 0.10000000E+01,
'19, 19' : 0.10000000E+01,
},
'AlH2.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.25361631E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : -0.16585501E-01,
'3, 2' : 0.19729420E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.30628368E-01,
'4, 2' : 0.24054536E+00,
'4, 3' : 0.85580952E+00,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.26300978E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.26300978E+00,
'9, 9' : 0.10000000E+01,
'10, 7' : 0.26300978E+00,
'10, 10' : 0.10000000E+01,
'11, 5' : 0.69338135E-01,
'11, 8' : 0.62285807E+00,
'11, 11' : 0.10000000E+01,
'12, 6' : 0.69338135E-01,
'12, 9' : 0.62285807E+00,
'12, 12' : 0.10000000E+01,
'13, 7' : 0.69338135E-01,
'13, 10' : 0.62285807E+00,
'13, 13' : 0.10000000E+01,
'14, 1' : 0.91082553E-03,
'14, 2' : 0.62373394E-01,
'14, 3' : 0.65138459E+00,
'14, 4' : 0.70020011E+00,
'14, 14' : 0.10000000E+01,
'15, 1' : 0.91082553E-03,
'15, 2' : 0.62373394E-01,
'15, 3' : 0.65138459E+00,
'15, 4' : 0.70020011E+00,
'15, 14' : 0.33333333E+00,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.91082553E-03,
'16, 2' : 0.62373394E-01,
'16, 3' : 0.65138459E+00,
'16, 4' : 0.70020011E+00,
'16, 14' : 0.33333333E+00,
'16, 15' : 0.33333333E+00,
'16, 16' : 0.10000000E+01,
'17, 17' : 0.10000000E+01,
'18, 18' : 0.10000000E+01,
'19, 19' : 0.10000000E+01,
'20, 1' : 0.18870706E-02,
'20, 2' : 0.25803320E-01,
'20, 3' : 0.26194072E+00,
'20, 4' : 0.29103621E+00,
'20, 6' : 0.30161984E-01,
'20, 7' : -0.18256399E-01,
'20, 9' : 0.35547414E+00,
'20, 10' : -0.21516084E+00,
'20, 12' : 0.32619480E+00,
'20, 13' : -0.19743869E+00,
'20, 14' : 0.74201282E-01,
'20, 15' : 0.43017956E+00,
'20, 16' : 0.20461820E+00,
'20, 19' : -0.37319804E+00,
'20, 20' : 0.10000000E+01,
'21, 1' : 0.16028858E-01,
'21, 2' : 0.12950434E+00,
'21, 3' : 0.51968675E+00,
'21, 4' : 0.62847614E+00,
'21, 6' : 0.48962033E-01,
'21, 7' : -0.29635664E-01,
'21, 9' : 0.40264809E+00,
'21, 10' : -0.24371422E+00,
'21, 12' : 0.53657814E+00,
'21, 13' : -0.32477920E+00,
'21, 14' : 0.34156938E+00,
'21, 15' : 0.56243286E+00,
'21, 16' : 0.42248537E+00,
'21, 19' : -0.23154732E+00,
'21, 20' : 0.68486025E+00,
'21, 21' : 0.10000000E+01,
'22, 5' : 0.76769059E-02,
'22, 8' : 0.13928105E+00,
'22, 11' : 0.12287490E+00,
'22, 17' : 0.26469030E+00,
'22, 18' : -0.16021134E+00,
'22, 22' : 0.10000000E+01,
'23, 1' : -0.12343586E-02,
'23, 2' : -0.28811535E-01,
'23, 3' : -0.17404919E+00,
'23, 4' : -0.84926509E-01,
'23, 6' : -0.39070785E-01,
'23, 7' : 0.28295370E-01,
'23, 9' : -0.17040527E+00,
'23, 10' : 0.18744646E+00,
'23, 12' : 0.31058019E-01,
'23, 13' : 0.55574783E-01,
'23, 14' : -0.39728740E-01,
'23, 15' : -0.43806854E-01,
'23, 16' : -0.15319697E+00,
'23, 19' : 0.16448672E+00,
'23, 23' : 0.10000000E+01,
'24, 1' : 0.74713067E-03,
'24, 2' : 0.17439001E-01,
'24, 3' : 0.10534823E+00,
'24, 4' : 0.51404187E-01,
'24, 6' : 0.28295370E-01,
'24, 7' : -0.94496725E-02,
'24, 9' : 0.18744646E+00,
'24, 10' : 0.25823746E-01,
'24, 12' : 0.55574783E-01,
'24, 13' : 0.89236685E-01,
'24, 14' : 0.24046951E-01,
'24, 15' : 0.21151146E+00,
'24, 16' : -0.92269289E-01,
'24, 19' : 0.68157555E-01,
'24, 24' : 0.10000000E+01,
'25, 1' : 0.18870706E-02,
'25, 2' : 0.25803320E-01,
'25, 3' : 0.26194072E+00,
'25, 4' : 0.29103621E+00,
'25, 6' : -0.30161984E-01,
'25, 7' : -0.18256399E-01,
'25, 9' : -0.35547414E+00,
'25, 10' : -0.21516084E+00,
'25, 12' : -0.32619480E+00,
'25, 13' : -0.19743869E+00,
'25, 14' : 0.74201282E-01,
'25, 15' : 0.43017956E+00,
'25, 16' : 0.20461820E+00,
'25, 19' : 0.37319804E+00,
'25, 20' : 0.16444145E-02,
'25, 21' : 0.49142201E-01,
'25, 23' : -0.15142386E-02,
'25, 25' : 0.10000000E+01,
'26, 1' : 0.16028858E-01,
'26, 2' : 0.12950434E+00,
'26, 3' : 0.51968675E+00,
'26, 4' : 0.62847614E+00,
'26, 6' : -0.48962033E-01,
'26, 7' : -0.29635664E-01,
'26, 9' : -0.40264809E+00,
'26, 10' : -0.24371422E+00,
'26, 12' : -0.53657814E+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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'27, 22' : 0.55740640E+00,
'27, 25' : -0.16381721E+00,
'27, 26' : 0.68486025E+00,
'27, 27' : 0.10000000E+01,
'28, 1' : 0.44938712E-01,
'28, 2' : 0.20445354E+00,
'28, 3' : 0.18479215E+00,
'28, 4' : 0.50559015E-01,
'28, 5' : -0.77237308E-01,
'28, 6' : -0.22063954E+00,
'28, 7' : 0.25556564E+00,
'28, 8' : -0.72557907E-01,
'28, 9' : -0.20727215E+00,
'28, 10' : 0.28818271E-01,
'28, 11' : 0.15614418E+00,
'28, 12' : 0.31224944E+00,
'28, 13' : -0.24261941E-01,
'28, 14' : -0.69307742E-01,
'28, 15' : 0.10786884E+00,
'28, 16' : 0.10008108E+00,
'28, 17' : 0.14186232E+00,
'28, 18' : -0.12973404E+00,
'28, 20' : -0.92619087E-01,
'28, 23' : 0.30720939E-01,
'28, 28' : 0.10000000E+01,
'29, 1' : 0.27244510E-01,
'29, 2' : 0.12395185E+00,
'29, 3' : 0.11203195E+00,
'29, 4' : -0.77237308E-01,
'29, 5' : 0.13113298E+00,
'29, 6' : -0.13376476E+00,
'29, 7' : -0.72557907E-01,
'29, 8' : 0.33125805E+00,
'29, 9' : -0.12566066E+00,
'29, 10' : 0.11740680E+00,
'29, 11' : -0.52716056E-02,
'29, 12' : 0.18930411E+00,
'29, 13' : -0.10499450E+00,
'29, 14' : 0.10786884E+00,
'29, 15' : -0.18183652E+00,
'29, 19' : 0.30703928E-01,
'29, 24' : 0.30720939E-01,
'29, 29' : 0.10000000E+01,
'30, 1' : 0.77827881E-01,
'30, 2' : 0.35408638E+00,
'30, 3' : 0.32003546E+00,
'30, 4' : -0.22063954E+00,
'30, 5' : -0.13376476E+00,
'30, 6' : -0.20415956E+00,
'30, 7' : -0.20727215E+00,
'30, 8' : -0.12566066E+00,
'30, 9' : 0.16279117E-01,
'30, 10' : 0.33538950E+00,
'30, 11' : 0.27042098E+00,
'30, 12' : 0.25529448E+00,
'30, 13' : 0.10786884E+00,
'30, 14' : 0.16538775E+00,
'30, 15' : 0.10026785E+00,
'30, 16' : 0.57775711E-01,
'30, 17' : 0.81895566E-01,
'30, 18' : -0.92619087E-01,
'30, 20' : -0.22764058E-01,
'30, 21' : 0.11560187E+00,
'30, 22' : 0.16381721E+00,
'30, 25' : -0.18326950E+00,
'30, 30' : 0.10000000E+01,
},
'OH-.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.22517844E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : 0.18381687E+00,
'3, 2' : 0.79221818E+00,
'3, 3' : 0.10000000E+01,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 4' : 0.50127148E+00,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.50127148E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.50127148E+00,
'9, 9' : 0.10000000E+01,
'10, 1' : 0.61510055E-01,
'10, 2' : 0.65809861E+00,
'10, 3' : 0.66428377E+00,
'10, 10' : 0.10000000E+01,
'11, 1' : 0.61510055E-01,
'11, 2' : 0.65809861E+00,
'11, 3' : 0.66428377E+00,
'11, 10' : 0.33333333E+00,
'11, 11' : 0.10000000E+01,
'12, 1' : 0.61510055E-01,
'12, 2' : 0.65809861E+00,
'12, 3' : 0.66428377E+00,
'12, 10' : 0.33333333E+00,
'12, 11' : 0.33333333E+00,
'12, 12' : 0.10000000E+01,
'13, 13' : 0.10000000E+01,
'14, 14' : 0.10000000E+01,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.45517351E-01,
'16, 2' : 0.27897359E+00,
'16, 3' : 0.47785039E+00,
'16, 6' : -0.26850042E+00,
'16, 9' : -0.61809075E+00,
'16, 10' : 0.19384864E+00,
'16, 11' : 0.19384864E+00,
'16, 12' : 0.41713523E+00,
'16, 16' : 0.10000000E+01,
'17, 1' : 0.63321975E-01,
'17, 2' : 0.34709834E+00,
'17, 3' : 0.63636214E+00,
'17, 6' : -0.10699902E+00,
'17, 9' : -0.39694746E+00,
'17, 10' : 0.31611898E+00,
'17, 11' : 0.31611898E+00,
'17, 12' : 0.34118634E+00,
'17, 16' : 0.68486025E+00,
'17, 17' : 0.10000000E+01,
'18, 4' : 0.17842473E+00,
'18, 7' : 0.37568432E+00,
'18, 14' : -0.29885269E+00,
'18, 18' : 0.10000000E+01,
'19, 5' : 0.17842473E+00,
'19, 8' : 0.37568432E+00,
'19, 15' : -0.29885269E+00,
'19, 19' : 0.10000000E+01,
'20, 1' : 0.94196218E-01,
'20, 2' : 0.42791014E+00,
'20, 3' : 0.38632095E+00,
'20, 6' : -0.37846619E+00,
'20, 9' : -0.14668766E+00,
'20, 10' : 0.28124220E+00,
'20, 11' : 0.28124220E+00,
'20, 12' : 0.47750333E+00,
'20, 20' : 0.10000000E+01,
},
'OH.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.22517844E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : 0.18381687E+00,
'3, 2' : 0.79221818E+00,
'3, 3' : 0.10000000E+01,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 4' : 0.50127148E+00,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.50127148E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.50127148E+00,
'9, 9' : 0.10000000E+01,
'10, 1' : 0.61510055E-01,
'10, 2' : 0.65809861E+00,
'10, 3' : 0.66428377E+00,
'10, 10' : 0.10000000E+01,
'11, 1' : 0.61510055E-01,
'11, 2' : 0.65809861E+00,
'11, 3' : 0.66428377E+00,
'11, 10' : 0.33333333E+00,
'11, 11' : 0.10000000E+01,
'12, 1' : 0.61510055E-01,
'12, 2' : 0.65809861E+00,
'12, 3' : 0.66428377E+00,
'12, 10' : 0.33333333E+00,
'12, 11' : 0.33333333E+00,
'12, 12' : 0.10000000E+01,
'13, 13' : 0.10000000E+01,
'14, 14' : 0.10000000E+01,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.46120888E-01,
'16, 2' : 0.28180905E+00,
'16, 3' : 0.48059835E+00,
'16, 6' : -0.27044096E+00,
'16, 9' : -0.61878520E+00,
'16, 10' : 0.19585000E+00,
'16, 11' : 0.19585000E+00,
'16, 12' : 0.42023303E+00,
'16, 16' : 0.10000000E+01,
'17, 1' : 0.63552579E-01,
'17, 2' : 0.34823764E+00,
'17, 3' : 0.63803802E+00,
'17, 6' : -0.10688867E+00,
'17, 9' : -0.39623105E+00,
'17, 10' : 0.31717878E+00,
'17, 11' : 0.31717878E+00,
'17, 12' : 0.34211159E+00,
'17, 16' : 0.68486025E+00,
'17, 17' : 0.10000000E+01,
'18, 4' : 0.18086139E+00,
'18, 7' : 0.37796110E+00,
'18, 14' : -0.30163567E+00,
'18, 18' : 0.10000000E+01,
'19, 5' : 0.18086139E+00,
'19, 8' : 0.37796110E+00,
'19, 15' : -0.30163567E+00,
'19, 19' : 0.10000000E+01,
'20, 1' : 0.95697214E-01,
'20, 2' : 0.43134055E+00,
'20, 3' : 0.38713161E+00,
'20, 6' : -0.37885097E+00,
'20, 9' : -0.14300931E+00,
'20, 10' : 0.28386118E+00,
'20, 11' : 0.28386118E+00,
'20, 12' : 0.47720140E+00,
'20, 20' : 0.10000000E+01,
},
'OH+.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.22517844E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : 0.18381687E+00,
'3, 2' : 0.79221818E+00,
'3, 3' : 0.10000000E+01,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 4' : 0.50127148E+00,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.50127148E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.50127148E+00,
'9, 9' : 0.10000000E+01,
'10, 1' : 0.61510055E-01,
'10, 2' : 0.65809861E+00,
'10, 3' : 0.66428377E+00,
'10, 10' : 0.10000000E+01,
'11, 1' : 0.61510055E-01,
'11, 2' : 0.65809861E+00,
'11, 3' : 0.66428377E+00,
'11, 10' : 0.33333333E+00,
'11, 11' : 0.10000000E+01,
'12, 1' : 0.61510055E-01,
'12, 2' : 0.65809861E+00,
'12, 3' : 0.66428377E+00,
'12, 10' : 0.33333333E+00,
'12, 11' : 0.33333333E+00,
'12, 12' : 0.10000000E+01,
'13, 13' : 0.10000000E+01,
'14, 14' : 0.10000000E+01,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.38126635E-01,
'16, 2' : 0.24346029E+00,
'16, 3' : 0.44216869E+00,
'16, 6' : -0.24320261E+00,
'16, 9' : -0.60668905E+00,
'16, 10' : 0.16876492E+00,
'16, 11' : 0.16876492E+00,
'16, 12' : 0.37699283E+00,
'16, 16' : 0.10000000E+01,
'17, 1' : 0.60279648E-01,
'17, 2' : 0.33202851E+00,
'17, 3' : 0.61409129E+00,
'17, 6' : -0.10812903E+00,
'17, 9' : -0.40537012E+00,
'17, 10' : 0.30210807E+00,
'17, 11' : 0.30210807E+00,
'17, 12' : 0.32888445E+00,
'17, 16' : 0.68486025E+00,
'17, 17' : 0.10000000E+01,
'18, 4' : 0.14852112E+00,
'18, 7' : 0.34616297E+00,
'18, 14' : -0.26267810E+00,
'18, 18' : 0.10000000E+01,
'19, 5' : 0.14852112E+00,
'19, 8' : 0.34616297E+00,
'19, 15' : -0.26267810E+00,
'19, 19' : 0.10000000E+01,
'20, 1' : 0.75782133E-01,
'20, 2' : 0.38258857E+00,
'20, 3' : 0.37420495E+00,
'20, 6' : -0.36812177E+00,
'20, 9' : -0.19182054E+00,
'20, 10' : 0.24719927E+00,
'20, 11' : 0.24719927E+00,
'20, 12' : 0.47571563E+00,
'20, 20' : 0.10000000E+01,
},
'OMg.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.23666861E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : -0.11625976E-01,
'3, 2' : 0.17913502E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.22194325E-01,
'4, 2' : 0.20403247E+00,
'4, 3' : 0.85448831E+00,
'4, 4' : 0.10000000E+01,
'5, 5' : 0.10000000E+01,
'6, 6' : 0.10000000E+01,
'7, 7' : 0.10000000E+01,
'8, 5' : 0.22821640E+00,
'8, 8' : 0.10000000E+01,
'9, 6' : 0.22821640E+00,
'9, 9' : 0.10000000E+01,
'10, 7' : 0.22821640E+00,
'10, 10' : 0.10000000E+01,
'11, 5' : 0.67160984E-01,
'11, 8' : 0.66532407E+00,
'11, 11' : 0.10000000E+01,
'12, 6' : 0.67160984E-01,
'12, 9' : 0.66532407E+00,
'12, 12' : 0.10000000E+01,
'13, 7' : 0.67160984E-01,
'13, 10' : 0.66532407E+00,
'13, 13' : 0.10000000E+01,
'14, 1' : 0.35463592E-03,
'14, 2' : 0.87196468E-01,
'14, 3' : 0.72769424E+00,
'14, 4' : 0.63267972E+00,
'14, 14' : 0.10000000E+01,
'15, 1' : 0.35463592E-03,
'15, 2' : 0.87196468E-01,
'15, 3' : 0.72769424E+00,
'15, 4' : 0.63267972E+00,
'15, 14' : 0.33333333E+00,
'15, 15' : 0.10000000E+01,
'16, 1' : 0.35463592E-03,
'16, 2' : 0.87196468E-01,
'16, 3' : 0.72769424E+00,
'16, 4' : 0.63267972E+00,
'16, 14' : 0.33333333E+00,
'16, 15' : 0.33333333E+00,
'16, 16' : 0.10000000E+01,
'17, 17' : 0.10000000E+01,
'18, 18' : 0.10000000E+01,
'19, 19' : 0.10000000E+01,
'20, 1' : -0.32280593E-06,
'20, 2' : 0.38880659E-04,
'20, 3' : 0.30447045E-01,
'20, 4' : 0.27476428E-01,
'20, 7' : -0.78387629E-03,
'20, 10' : -0.57736814E-01,
'20, 13' : -0.36846119E-01,
'20, 14' : 0.48537259E-03,
'20, 15' : 0.48537259E-03,
'20, 16' : 0.81062770E-01,
'20, 20' : 0.10000000E+01,
'21, 1' : -0.20195861E-04,
'21, 2' : 0.36878464E-02,
'21, 3' : 0.17881220E+00,
'21, 4' : 0.16246005E+00,
'21, 7' : -0.14185986E-01,
'21, 10' : -0.31318126E+00,
'21, 13' : -0.20997357E+00,
'21, 14' : 0.21764834E-01,
'21, 15' : 0.21764834E-01,
'21, 16' : 0.40560150E+00,
'21, 20' : 0.22517844E+00,
'21, 21' : 0.10000000E+01,
'22, 1' : 0.38234739E-02,
'22, 2' : 0.51485474E-01,
'22, 3' : 0.36525509E+00,
'22, 4' : 0.35087114E+00,
'22, 7' : -0.67269015E-01,
'22, 10' : -0.53968886E+00,
'22, 13' : -0.41547738E+00,
'22, 14' : 0.12054497E+00,
'22, 15' : 0.12054497E+00,
'22, 16' : 0.60961473E+00,
'22, 20' : 0.18381687E+00,
'22, 21' : 0.79221818E+00,
'22, 22' : 0.10000000E+01,
'23, 5' : 0.28631408E-02,
'23, 8' : 0.71443618E-01,
'23, 11' : 0.47535243E-01,
'23, 18' : -0.15486848E+00,
'23, 23' : 0.10000000E+01,
'24, 6' : 0.28631408E-02,
'24, 9' : 0.71443618E-01,
'24, 12' : 0.47535243E-01,
'24, 19' : -0.15486848E+00,
'24, 24' : 0.10000000E+01,
'25, 1' : -0.29239887E-04,
'25, 2' : 0.74084621E-02,
'25, 3' : 0.83494092E-01,
'25, 4' : 0.30678311E-01,
'25, 7' : -0.22671640E-01,
'25, 10' : -0.11359927E+00,
'25, 13' : 0.65780922E-02,
'25, 14' : 0.14817536E-01,
'25, 15' : 0.14817536E-01,
'25, 16' : 0.14796261E+00,
'25, 25' : 0.10000000E+01,
'26, 5' : 0.41458909E-01,
'26, 8' : 0.32027022E+00,
'26, 11' : 0.25146584E+00,
'26, 18' : -0.48340794E+00,
'26, 23' : 0.50127148E+00,
'26, 26' : 0.10000000E+01,
'27, 6' : 0.41458909E-01,
'27, 9' : 0.32027022E+00,
'27, 12' : 0.25146584E+00,
'27, 19' : -0.48340794E+00,
'27, 24' : 0.50127148E+00,
'27, 27' : 0.10000000E+01,
'28, 1' : 0.16509341E-01,
'28, 2' : 0.16443478E+00,
'28, 3' : 0.33894231E+00,
'28, 4' : 0.16300714E+00,
'28, 7' : -0.14794019E+00,
'28, 10' : -0.30522222E+00,
'28, 13' : 0.56034137E-01,
'28, 14' : 0.18957827E+00,
'28, 15' : 0.18957827E+00,
'28, 16' : 0.30653287E+00,
'28, 25' : 0.50127148E+00,
'28, 28' : 0.10000000E+01,
'29, 1' : -0.11822260E-04,
'29, 2' : 0.14734251E-02,
'29, 3' : 0.16298124E+00,
'29, 4' : 0.15548016E+00,
'29, 7' : -0.76961087E-02,
'29, 10' : -0.28358290E+00,
'29, 13' : -0.20228050E+00,
'29, 14' : 0.46315426E-01,
'29, 15' : 0.15438475E-01,
'29, 16' : 0.35868617E+00,
'29, 20' : 0.61510055E-01,
'29, 21' : 0.65809861E+00,
'29, 22' : 0.66428377E+00,
'29, 29' : 0.10000000E+01,
'30, 1' : -0.11822260E-04,
'30, 2' : 0.14734251E-02,
'30, 3' : 0.16298124E+00,
'30, 4' : 0.15548016E+00,
'30, 7' : -0.76961087E-02,
'30, 10' : -0.28358290E+00,
'30, 13' : -0.20228050E+00,
'30, 14' : 0.15438475E-01,
'30, 15' : 0.46315426E-01,
'30, 16' : 0.35868617E+00,
'30, 20' : 0.61510055E-01,
'30, 21' : 0.65809861E+00,
'30, 22' : 0.66428377E+00,
'30, 29' : 0.33333333E+00,
'30, 30' : 0.10000000E+01,
'31, 1' : -0.64592037E-04,
'31, 2' : 0.14278482E-01,
'31, 3' : 0.18938000E+00,
'31, 4' : 0.15988942E+00,
'31, 7' : -0.39128152E-01,
'31, 10' : -0.30550762E+00,
'31, 13' : -0.19430172E+00,
'31, 14' : 0.23986271E-01,
'31, 15' : 0.23986271E-01,
'31, 16' : 0.37149026E+00,
'31, 20' : 0.61510055E-01,
'31, 21' : 0.65809861E+00,
'31, 22' : 0.66428377E+00,
'31, 29' : 0.33333333E+00,
'31, 30' : 0.33333333E+00,
'31, 31' : 0.10000000E+01,
'32, 17' : 0.46315426E-01,
'32, 32' : 0.10000000E+01,
'33, 5' : 0.72741208E-02,
'33, 8' : 0.55267992E-01,
'33, 11' : 0.12157644E-01,
'33, 18' : -0.11618412E+00,
'33, 33' : 0.10000000E+01,
'34, 6' : 0.72741208E-02,
'34, 9' : 0.55267992E-01,
'34, 12' : 0.12157644E-01,
'34, 19' : -0.11618412E+00,
'34, 34' : 0.10000000E+01,
},
'ONa.ezfio' : {
'1, 1' : 0.10000000E+01,
'2, 1' : 0.24807897E+00,
'2, 2' : 0.10000000E+01,
'3, 1' : 0.21860518E-02,
'3, 2' : 0.16318571E+00,
'3, 3' : 0.10000000E+01,
'4, 1' : 0.20081583E-01,
'4, 2' : 0.16946621E+00,
'4, 3' : 0.87752644E+00,
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}