--------------------------- 786 ------------------------------------------- Ref. "Atomic data from the Iron Project LIX. New radiative transition probabilities for Fe IV including fine structure", Sultana N. Nahar and Anil K. Pradhan, Astron. Astrophys 437. 345 (2005) -------------------------------------------------------------------------- Fe IV : Calculated LS term energies (n-max=10, l-max=9) File contents ------------- i) Table of target/core states in the wavefunction expansion ii) Table of bound (negative) state energies (with spectroscopic notation) iii) Table of complete set (both negative and positive) of energies -------------------------------------------------------------------------- i) Table of target/core states in the wavefunction expansion ------------------------------------------------------------- Z = 26, no of target/core electrons= 22 no of target/core states in WF = 16 target states and energies: 1 3d4 5D 0.00000E+00 2 3d4 3H 2.30232E-01 3 3d4 3P 2.34211E-01 4 3d4 3F 2.44942E-01 5 3d4 3G 2.74991E-01 6 3d4 1G 3.33399E-01 7 3d4 3D 3.34726E-01 8 3d4 1I 3.41832E-01 9 3d4 1S 3.61166E-01 10 3d4 1D 4.21837E-01 11 3d4 1F 4.80536E-01 12 3d4 3F 5.67719E-01 13 3d4 3P 5.68463E-01 14 3d4 1G 6.49554E-01 15 3d4 1D 8.55063E-01 16 3d4 1S 1.10382E+00 -------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) -------------------------------------------------------------------------- Ion ground state = 60002300.0000, Eo(Ry) = -4.0200E+00 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) =1827 SPECTROSCOPIC ENERGY TABLE: NOTE: i) Table lists only the bound states below the ionization threshold However, results include both the negative and positive energies ii) Each LS-term is preceded by an alphabetic character to represent the seniority of the state. The states of an even parity symmetry have an ascending order and of an odd parity symmetry have a descending order of alphabets. The alphabetic order starts with lower case and continues in to upper case. iii) The states with an valence electron represented by "0s" is an equivalent electron state for which the core configuration is to be corrected manually. iv) All energies listed below are relative to the core ground state. Hence, for a state that does not couple to core ground state, the ionization energy is sum of (this energy + energy of the core that couples to the the state-see table of target states above) v) Er: a non-zero value here gives the calculated energy which has been replaced by the observed energy given in the left column State E(Ry) Er(Ry) Eqv st (0S ) 0s a6S -4.02000 -4.02000 3d4 (5D ) 4d b6S -1.39828 0.00000 3d4 (5D ) 5d c6S -0.81636 0.00000 3d4 (5D ) 6d d6S -0.54091 0.00000 3d4 (5D ) 7d e6S -0.38568 0.00000 3d4 (5D ) 8d f6S -0.28891 0.00000 3d4 (5D ) 9d g6S -0.22449 0.00000 3d4 (5D )10d h6S -0.17944 0.00000 3d4 (5D )11d i6S -0.14672 0.00000 3d4 (5D ) 4d a6P -1.55722 0.00000 3d4 (5D ) 5d b6P -0.87599 0.00000 3d4 (5D ) 6d c6P -0.57173 0.00000 3d4 (5D ) 7d d6P -0.40367 0.00000 3d4 (5D ) 8d e6P -0.30030 0.00000 3d4 (5D ) 9d f6P -0.23216 0.00000 3d4 (5D )10d g6P -0.18486 0.00000 3d4 (5D )11d h6P -0.15068 0.00000 3d4 (5D ) 4p z6Po -2.28789 -2.28789 3d4 (5D ) 5p y6Po -1.16395 0.00000 3d4 (5D ) 4f x6Po -1.01763 0.00000 3d4 (5D ) 6p w6Po -0.71712 0.00000 3d4 (5D ) 5f v6Po -0.65058 0.00000 3d4 (5D ) 7p u6Po -0.48720 0.00000 3d4 (5D ) 6f t6Po -0.45115 0.00000 3d4 (5D ) 8p s6Po -0.35267 0.00000 3d4 (5D ) 7f r6Po -0.33108 0.00000 3d4 (5D ) 9p q6Po -0.26715 0.00000 3d4 (5D ) 8f p6Po -0.25322 0.00000 3d4 (5D )10p o6Po -0.20940 0.00000 3d4 (5D ) 9f n6Po -0.19988 0.00000 3d4 (5D )11p m6Po -0.16856 0.00000 3d4 (5D )10f l6Po -0.16176 0.00000 3d4 (5D )12p k6Po -0.13861 0.00000 3d4 (5D )11f j6Po -0.13358 0.00000 3d4 (5D ) 4s a6D -2.84921 -2.84921 3d4 (5D ) 4d b6D -1.53345 0.00000 3d4 (5D ) 5s c6D -1.36657 0.00000 3d4 (5D ) 5d d6D -0.86719 0.00000 3d4 (5D ) 6s e6D -0.81406 0.00000 3d4 (5D ) 5g f6D -0.64248 0.00000 3d4 (5D ) 6d g6D -0.56739 0.00000 3d4 (5D ) 7s h6D -0.54093 0.00000 3d4 (5D ) 6g i6D -0.44580 0.00000 3d4 (5D ) 7d j6D -0.40115 0.00000 3d4 (5D ) 8s k6D -0.38548 0.00000 3d4 (5D ) 7g l6D -0.32742 0.00000 3d4 (5D ) 8d m6D -0.29872 0.00000 3d4 (5D ) 9s n6D -0.28866 0.00000 3d4 (5D ) 8g o6D -0.25061 0.00000 3d4 (5D ) 9d p6D -0.23110 0.00000 3d4 (5D )10s q6D -0.22426 0.00000 3d4 (5D ) 9g r6D -0.19796 0.00000 3d4 (5D )10d s6D -0.18411 0.00000 3d4 (5D )11s t6D -0.17925 0.00000 3d4 (5D )10g u6D -0.16032 0.00000 3d4 (5D )11d v6D -0.15013 0.00000 3d4 (5D )12s w6D -0.14656 0.00000 3d4 (5D )11g x6D -0.13247 0.00000 3d4 (5D ) 4p z6Do -2.25826 -2.25826 3d4 (5D ) 5p y6Do -1.15082 0.00000 3d4 (5D ) 4f x6Do -1.01721 0.00000 3d4 (5D ) 6p w6Do -0.71124 0.00000 3d4 (5D ) 5f v6Do -0.65186 0.00000 3d4 (5D ) 7p u6Do -0.48419 0.00000 3d4 (5D ) 6f t6Do -0.45218 0.00000 3d4 (5D ) 8p s6Do -0.35086 0.00000 3d4 (5D ) 7f r6Do -0.33174 0.00000 3d4 (5D ) 9p q6Do -0.26597 0.00000 3d4 (5D ) 8f p6Do -0.25363 0.00000 3d4 (5D )10p o6Do -0.20858 0.00000 3d4 (5D ) 9f n6Do -0.20015 0.00000 3d4 (5D )11p m6Do -0.16797 0.00000 3d4 (5D )10f l6Do -0.16194 0.00000 3d4 (5D )12p k6Do -0.13817 0.00000 3d4 (5D )11f j6Do -0.13371 0.00000 3d4 (5D ) 4d a6F -1.52852 0.00000 3d4 (5D ) 5d b6F -0.86542 0.00000 3d4 (5D ) 5g c6F -0.64025 0.00000 3d4 (5D ) 6d d6F -0.56657 0.00000 3d4 (5D ) 6g e6F -0.44465 0.00000 3d4 (5D ) 7d f6F -0.40068 0.00000 3d4 (5D ) 7g g6F -0.32669 0.00000 3d4 (5D ) 8d h6F -0.29842 0.00000 3d4 (5D ) 8g i6F -0.25012 0.00000 3d4 (5D ) 9d j6F -0.23090 0.00000 3d4 (5D ) 9g k6F -0.19762 0.00000 3d4 (5D )10d l6F -0.18397 0.00000 3d4 (5D )10g m6F -0.16007 0.00000 3d4 (5D )11d n6F -0.15003 0.00000 3d4 (5D )11g o6F -0.13229 0.00000 3d4 (5D ) 4p z6Fo -2.29546 -2.29546 3d4 (5D ) 5p y6Fo -1.16369 0.00000 3d4 (5D ) 4f x6Fo -1.01042 0.00000 3d4 (5D ) 6p w6Fo -0.71695 0.00000 3d4 (5D ) 5f v6Fo -0.64838 0.00000 3d4 (5D ) 7p u6Fo -0.48716 0.00000 3d4 (5D ) 6f t6Fo -0.45025 0.00000 3d4 (5D ) 6h s6Fo -0.44504 0.00000 3d4 (5D ) 8p r6Fo -0.35264 0.00000 3d4 (5D ) 7f q6Fo -0.33052 0.00000 3d4 (5D ) 7h p6Fo -0.32690 0.00000 3d4 (5D ) 9p o6Fo -0.26713 0.00000 3d4 (5D ) 8f n6Fo -0.25282 0.00000 3d4 (5D ) 8h m6Fo -0.25025 0.00000 3d4 (5D )10p l6Fo -0.20938 0.00000 3d4 (5D ) 9f k6Fo -0.19958 0.00000 3d4 (5D ) 9h j6Fo -0.19771 0.00000 3d4 (5D )11p i6Fo -0.16854 0.00000 3d4 (5D )10f h6Fo -0.16153 0.00000 3d4 (5D )10h g6Fo -0.16013 0.00000 3d4 (5D )12p f6Fo -0.13859 0.00000 3d4 (5D )11f e6Fo -0.13340 0.00000 3d4 (5D )11h d6Fo -0.13233 0.00000 3d4 (5D ) 4d a6G -1.55312 0.00000 3d4 (5D ) 5d b6G -0.87451 0.00000 3d4 (5D ) 5g c6G -0.63892 0.00000 3d4 (5D ) 6d d6G -0.57103 0.00000 3d4 (5D ) 6g e6G -0.44400 0.00000 3d4 (5D ) 7d f6G -0.40327 0.00000 3d4 (5D ) 7i g6G -0.32665 0.00000 3d4 (5D ) 7g h6G -0.32628 0.00000 3d4 (5D ) 8d i6G -0.30006 0.00000 3d4 (5D ) 8i j6G -0.25011 0.00000 3d4 (5D ) 8g k6G -0.24985 0.00000 3d4 (5D ) 9d l6G -0.23200 0.00000 3d4 (5D ) 9i m6G -0.19762 0.00000 3d4 (5D ) 9g n6G -0.19743 0.00000 3d4 (5D )10d o6G -0.18474 0.00000 3d4 (5D )10g p6G -0.16007 0.00000 3d4 (5D )10i q6G -0.15993 0.00000 3d4 (5D )11d r6G -0.15059 0.00000 3d4 (5D )11g s6G -0.13228 0.00000 3d4 (5D ) 4f z6Go -1.00821 0.00000 3d4 (5D ) 5f y6Go -0.64741 0.00000 3d4 (5D ) 6f x6Go -0.44976 0.00000 3d4 (5D ) 6h w6Go -0.44442 0.00000 3d4 (5D ) 7f v6Go -0.33022 0.00000 3d4 (5D ) 7h u6Go -0.32651 0.00000 3d4 (5D ) 8f t6Go -0.25262 0.00000 3d4 (5D ) 8h s6Go -0.24999 0.00000 3d4 (5D ) 9f r6Go -0.19944 0.00000 3d4 (5D ) 9h q6Go -0.19752 0.00000 3d4 (5D )10f p6Go -0.16143 0.00000 3d4 (5D )10h o6Go -0.16000 0.00000 3d4 (5D )11f n6Go -0.13332 0.00000 3d4 (5D ) 5g a6H -0.63868 0.00000 3d4 (5D ) 6g b6H -0.44385 0.00000 3d4 (5D ) 7i c6H -0.32652 0.00000 3d4 (5D ) 7g d6H -0.32618 0.00000 3d4 (5D ) 8i e6H -0.24999 0.00000 3d4 (5D ) 8g f6H -0.24978 0.00000 3d4 (5D ) 9i g6H -0.19752 0.00000 3d4 (5D ) 9g h6H -0.19738 0.00000 3d4 (5D )10i i6H -0.15999 0.00000 3d4 (5D )10g j6H -0.15990 0.00000 3d4 (5D ) 4f z6Ho -1.02050 0.00000 3d4 (5D ) 5f y6Ho -0.65361 0.00000 3d4 (5D ) 6f x6Ho -0.45319 0.00000 3d4 (5D ) 6h w6Ho -0.44406 0.00000 3d4 (5D ) 7f v6Ho -0.33238 0.00000 3d4 (5D ) 7h u6Ho -0.32630 0.00000 3d4 (5D ) 8f t6Ho -0.25406 0.00000 3d4 (5D ) 8k s6Ho -0.25002 0.00000 3d4 (5D ) 8h r6Ho -0.24985 0.00000 3d4 (5D ) 9f q6Ho -0.20045 0.00000 3d4 (5D ) 9k p6Ho -0.19755 0.00000 3d4 (5D ) 9h o6Ho -0.19743 0.00000 3d4 (5D )10f n6Ho -0.16217 0.00000 3d4 (5D )10k m6Ho -0.16002 0.00000 3d4 (5D )10h l6Ho -0.15992 0.00000 3d4 (5D )11f k6Ho -0.13388 0.00000 3d4 (5D )11h j6Ho -0.13225 0.00000 3d4 (5D ) 5g a6I -0.64139 0.00000 3d4 (5D ) 6g b6I -0.44528 0.00000 3d4 (5D ) 7g c6I -0.32710 0.00000 3d4 (5D ) 7i d6I -0.32645 0.00000 3d4 (5D ) 8g e6I -0.25040 0.00000 3d4 (5D ) 8i f6I -0.24992 0.00000 3d4 (5D ) 9g g6I -0.19782 0.00000 3d4 (5D ) 9l h6I -0.19753 0.00000 3d4 (5D ) 9i i6I -0.19747 0.00000 3d4 (5D )10g j6I -0.16022 0.00000 3d4 (5D )10l k6I -0.16000 0.00000 3d4 (5D )10i l6I -0.15995 0.00000 3d4 (5D )11g m6I -0.13240 0.00000 3d4 (5D )11i n6I -0.13224 0.00000 3d4 (5D ) 6h z6Io -0.44406 0.00000 3d4 (5D ) 7h y6Io -0.32630 0.00000 3d4 (5D ) 8k x6Io -0.25000 0.00000 3d4 (5D ) 8h w6Io -0.24984 0.00000 3d4 (5D ) 9k v6Io -0.19753 0.00000 3d4 (5D ) 9h u6Io -0.19742 0.00000 3d4 (5D )10h t6Io -0.16000 0.00000 3d4 (5D )10k s6Io -0.15992 0.00000 3d4 (5D ) 7i a6K -0.32645 0.00000 3d4 (5D ) 8i b6K -0.24993 0.00000 3d4 (5D ) 9l c6K -0.19753 0.00000 3d4 (5D ) 9i d6K -0.19747 0.00000 3d4 (5D )10i e6K -0.16000 0.00000 3d4 (5D )10l f6K -0.15996 0.00000 3d4 (5D )11i g6K -0.13223 0.00000 3d4 (5D ) 6h z6Ko -0.44479 0.00000 3d4 (5D ) 7h y6Ko -0.32675 0.00000 3d4 (5D ) 8h x6Ko -0.25015 0.00000 3d4 (5D ) 8k w6Ko -0.24998 0.00000 3d4 (5D ) 9h v6Ko -0.19764 0.00000 3d4 (5D ) 9k u6Ko -0.19751 0.00000 3d4 (5D )10h t6Ko -0.16008 0.00000 3d4 (5D )10m s6Ko -0.16000 0.00000 3d4 (5D )10k r6Ko -0.15998 0.00000 3d4 (5D )11h q6Ko -0.13229 0.00000 3d4 (5D )11k p6Ko -0.13223 0.00000 3d4 (5D ) 4d a4S -1.57596 0.00000 3d4 (3D ) 4d b4S -1.17883 0.00000 3d4 (5D ) 5d c4S -0.88220 0.00000 3d4 (5D ) 6d d4S -0.57489 0.00000 3d4 (3D ) 5d e4S -0.53261 0.00000 3d4 (5D ) 7d f4S -0.40541 0.00000 3d4 (3G ) 5g g4S -0.36580 0.00000 3d4 (5D ) 8d h4S -0.30142 0.00000 3d4 (3D ) 6d i4S -0.23384 0.00000 3d4 (5D ) 9d j4S -0.23215 0.00000 3d4 (5D )10d k4S -0.18537 0.00000 3d4 (3G ) 6g l4S -0.16996 0.00000 3d4 (5D )11d m4S -0.15106 0.00000 3d4 (3P ) 4p z4So -1.67346 -1.67346 3d4 (3P ) 4p y4So -1.48890 0.00000 3d4 (3P ) 5p x4So -0.91391 0.00000 3d4 (3F ) 4f w4So -0.76492 0.00000 3d4 (3P ) 5p v4So -0.57339 0.00000 3d4 (3P ) 6p u4So -0.47566 0.00000 3d4 (3F ) 4f t4So -0.42990 0.00000 3d4 (3F ) 5f s4So -0.40099 0.00000 3d4 (3P ) 7p r4So -0.24936 0.00000 3d4 (3H ) 6h q4So -0.21386 0.00000 3d4 (3F ) 6f p4So -0.20402 0.00000 3d4 (3P ) 6p o4So -0.13935 0.00000 3d4 (3P ) 8p n4So -0.11603 0.00000 3d4 (3H ) 7h m4So -0.09608 0.00000 3d4 (3F ) 7f l4So -0.08507 0.00000 3d4 (3F ) 5f k4So -0.07285 0.00000 3d4 (3P ) 9p j4So -0.03148 0.00000 3d4 (3H ) 8h i4So -0.01962 0.00000 3d4 (3F ) 8f h4So -0.00724 0.00000 Eqv st (0S ) 0s a4P -3.69827 -3.69827 3d4 (3P ) 4s b4P -2.60779 -2.60779 3d4 (3P ) 4s c4P -2.28421 -2.28421 3d4 (5D ) 4d d4P -1.49704 0.00000 3d4 (3P ) 4d e4P -1.29031 0.00000 3d4 (3F ) 4d f4P -1.20221 0.00000 3d4 (3P ) 5s g4P -1.13146 0.00000 3d4 (3D ) 4d h4P -1.12601 0.00000 3d4 (3F ) 4d i4P -0.92349 0.00000 3d4 (3P ) 4d j4P -0.87747 0.00000 3d4 (5D ) 5d k4P -0.84242 0.00000 3d4 (3P ) 5s l4P -0.79436 0.00000 3d4 (3P ) 5d m4P -0.62893 0.00000 3d4 (3F ) 5d n4P -0.59893 0.00000 3d4 (3P ) 6s o4P -0.57792 0.00000 3d4 (5D ) 6d p4P -0.55228 0.00000 3d4 (3D ) 5d q4P -0.51540 0.00000 3d4 (3P ) 5g r4P -0.40859 0.00000 3d4 (3F ) 5g s4P -0.39575 0.00000 3d4 (5D ) 7d t4P -0.39489 0.00000 3d4 (3G ) 5g u4P -0.36560 0.00000 3d4 (3P ) 6d v4P -0.32998 0.00000 3d4 (3F ) 6d w4P -0.31152 0.00000 3d4 (3P ) 7s x4P -0.30572 0.00000 3d4 (3F ) 5d y4P -0.29687 0.00000 3d4 (5D ) 8d z4P -0.28972 0.00000 3d4 (3P ) 5d A4P -0.27730 0.00000 3d4 (3P ) 6s B4P -0.24471 0.00000 3d4 (3D ) 6d C4P -0.23108 0.00000 3d4 (5D ) 9d D4P -0.22311 0.00000 3d4 (3P ) 6g E4P -0.21362 0.00000 3d4 (3F ) 6g F4P -0.19990 0.00000 3d4 (5D )10d G4P -0.18248 0.00000 3d4 (3G ) 6g H4P -0.16985 0.00000 3d4 (3P ) 7d I4P -0.16419 0.00000 3d4 (3P ) 6s J4P -0.15209 0.00000 3d4 (5D )12d K4P -0.15067 0.00000 3d4 (3F ) 7d L4P -0.14389 0.00000 3d4 (5D ) 4p z4Po -2.26573 -2.26573 3d4 (3P ) 4p y4Po -2.03953 -2.03953 3d4 (3D ) 4p x4Po -1.93932 -1.93932 3d4 (3P ) 4p w4Po -1.72845 -1.72845 3d4 (5D ) 5p v4Po -1.15416 0.00000 3d4 (5D ) 4f u4Po -1.02304 0.00000 3d4 (3P ) 5p t4Po -0.91951 0.00000 3d4 (3D ) 5p s4Po -0.81691 0.00000 3d4 (3F ) 4f r4Po -0.76699 0.00000 3d4 (3G ) 4f q4Po -0.73800 0.00000 3d4 (5D ) 6p p4Po -0.71230 0.00000 3d4 (3D ) 4f o4Po -0.67698 0.00000 3d4 (5D ) 5f n4Po -0.65357 0.00000 3d4 (3P ) 5p m4Po -0.59284 0.00000 3d4 (5D ) 7p l4Po -0.48586 0.00000 3d4 (3P ) 6p k4Po -0.47727 0.00000 3d4 (5D ) 6f j4Po -0.45308 0.00000 3d4 (3F ) 4f i4Po -0.43479 0.00000 3d4 (3F ) 5f h4Po -0.40235 0.00000 3d4 (3D ) 6p g4Po -0.37668 0.00000 3d4 (3G ) 5f f4Po -0.37383 0.00000 3d4 (5D ) 8p e4Po -0.35107 0.00000 3d4 (5D ) 7f d4Po -0.33209 0.00000 3d4 (3D ) 5f c4Po -0.31396 0.00000 3d4 (5D ) 9p b4Po -0.26627 0.00000 3d4 (5D ) 8f a4Po -0.25396 0.00000 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k4Do -0.69879 0.00000 3d4 (3D ) 4f j4Do -0.67512 0.00000 3d4 (5D ) 5f i4Do -0.64446 0.00000 3d4 (3P ) 5p h4Do -0.59218 0.00000 3d4 (3F ) 5p g4Do -0.56701 0.00000 3d4 (3P ) 6p f4Do -0.48053 0.00000 3d4 (5D ) 7p e4Do -0.47763 0.00000 3d4 (3F ) 6p d4Do -0.46703 0.00000 3d4 (5D ) 6f c4Do -0.44759 0.00000 3d4 (3F ) 4f b4Do -0.44736 0.00000 3d4 (3P ) 4f a4Do -0.43391 0.00000 3d4 (3H ) 5f Z4Do -0.41540 0.00000 3d4 (3P ) 5f Y4Do -0.41260 0.00000 3d4 (3F ) 5f X4Do -0.40454 0.00000 3d4 (3D ) 6p W4Do -0.37973 0.00000 3d4 (3G ) 5f V4Do -0.37140 0.00000 3d4 (5D ) 8p U4Do -0.34664 0.00000 3d4 (5D ) 7f T4Do -0.32850 0.00000 3d4 (3D ) 5f S4Do -0.31248 0.00000 3d4 (5D ) 9p R4Do -0.26337 0.00000 3d4 (3P ) 7p Q4Do -0.25173 0.00000 3d4 (5D ) 8f P4Do -0.25148 0.00000 3d4 (3F ) 7p O4Do -0.23963 0.00000 3d4 (3H ) 6f N4Do -0.21823 0.00000 3d4 (3P ) 6f M4Do -0.21519 0.00000 3d4 (3H ) 6h L4Do -0.21398 0.00000 3d4 (5D )10p K4Do -0.20686 0.00000 3d4 (3F ) 6f J4Do -0.20576 0.00000 3d4 (3F ) 6h I4Do -0.19966 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3d4 (3P ) 5d C2P -0.23863 0.00000 3d4 (3D ) 6d D2P -0.21902 0.00000 3d4 (3H ) 6g E2P -0.21352 0.00000 3d4 (3F ) 6g F2P -0.19993 0.00000 3d4 (3P ) 7d G2P -0.16982 0.00000 3d4 (3G ) 6g H2P -0.16610 0.00000 3d4 (3F ) 7d I2P -0.15682 0.00000 3d4 (3P ) 8s J2P -0.15388 0.00000 3d4 (1D ) 6d K2P -0.14897 0.00000 3d4 (1F ) 5g L2P -0.14114 0.00000 3d4 (1G ) 6g M2P -0.11141 0.00000 3d4 (3H ) 7g N2P -0.09624 0.00000 3d4 (3H ) 7i O2P -0.09589 0.00000 3d4 (3F ) 7g P2P -0.08195 0.00000 3d4 (1F ) 6d Q2P -0.07862 0.00000 3d4 (3D ) 7d R2P -0.06915 0.00000 3d4 (3P ) 8d S2P -0.06462 0.00000 3d4 (3F ) 8d T2P -0.06357 0.00000 3d4 (3P ) 9s U2P -0.05284 0.00000 3d4 (3F ) 5g V2P -0.05226 0.00000 3d4 (3G ) 7g W2P -0.05177 0.00000 3d4 (3H ) 8g X2P -0.01970 0.00000 3d4 (3H ) 8i Y2P -0.01950 0.00000 3d4 (1G ) 5g Z2P -0.00793 0.00000 3d4 (3F ) 8g 2P -0.00526 0.00000 3d4 (3P ) 4p z2Po -2.01505 -2.01505 3d4 (1S ) 4p y2Po -1.90429 -1.90429 3d4 (3D ) 4p x2Po -1.91563 -1.91563 3d4 (1D ) 4p w2Po -1.81237 -1.81237 3d4 (3P ) 4p v2Po -1.65799 -1.65799 3d4 (1D ) 4p u2Po -1.45946 -1.45946 3d4 (3P ) 5p t2Po -0.91004 0.00000 3d4 (1S ) 4p s2Po -0.87799 0.00000 3d4 (3D ) 5p r2Po -0.80828 0.00000 3d4 (1S ) 5p q2Po -0.78800 0.00000 3d4 (3F ) 4f p2Po -0.76713 0.00000 3d4 (3G ) 4f o2Po -0.73625 0.00000 3d4 (1D ) 5p n2Po -0.71805 0.00000 3d4 (1G ) 4f m2Po -0.67810 0.00000 3d4 (3D ) 4f l2Po -0.66829 0.00000 3d4 (1D ) 4f k2Po -0.58262 0.00000 3d4 (3P ) 5p j2Po -0.57286 0.00000 3d4 (1F ) 4f i2Po -0.52017 0.00000 3d4 (3P ) 6p h2Po -0.47350 0.00000 3d4 (3F ) 4f g2Po -0.42857 0.00000 3d4 (3F ) 5f f2Po -0.40230 0.00000 3d4 (3G ) 5f e2Po -0.37581 0.00000 3d4 (3D ) 6p d2Po -0.36875 0.00000 3d4 (1G ) 4f c2Po -0.35700 0.00000 3d4 (1S ) 6p b2Po -0.34967 0.00000 3d4 (1G ) 5f a2Po -0.31690 0.00000 3d4 (3D ) 5f Z2Po -0.30947 0.00000 3d4 (1D ) 5p Y2Po -0.30437 0.00000 3d4 (1D ) 6p X2Po -0.28445 0.00000 3d4 (3P ) 7p W2Po -0.24805 0.00000 3d4 (1D ) 5f V2Po -0.22307 0.00000 3d4 (3H ) 6h U2Po -0.21390 0.00000 3d4 (3F ) 6f T2Po -0.20471 0.00000 3d4 (3G ) 6f S2Po -0.17506 0.00000 3d4 (3G ) 6h R2Po -0.16960 0.00000 3d4 (1D ) 4f Q2Po -0.16776 0.00000 3d4 (1F ) 5f P2Po -0.16167 0.00000 3d4 (3D ) 7p O2Po -0.15032 0.00000 3d4 (3P ) 6p N2Po -0.13578 0.00000 3d4 (1S ) 6p M2Po -0.12282 0.00000 3d4 (1G ) 6f L2Po -0.11689 0.00000 3d4 (3P ) 8p K2Po -0.11476 0.00000 3d4 (3D ) 6f J2Po -0.11175 0.00000 3d4 (1G ) 6h I2Po -0.11120 0.00000 3d4 (1I ) 6h H2Po -0.10209 0.00000 3d4 (3H ) 7h G2Po -0.09611 0.00000 3d4 (3F ) 7f F2Po -0.08539 0.00000 3d4 (3F ) 5f E2Po -0.07065 0.00000 3d4 (1D ) 7p D2Po -0.06064 0.00000 3d4 (3G ) 7f C2Po -0.05486 0.00000 3d4 (3G ) 7h B2Po -0.05163 0.00000 3d4 (1S ) 5p A2Po -0.04333 0.00000 3d4 (3P ) 9p 2Po -0.03099 0.00000 3d4 (1D ) 6f 2Po -0.02576 0.00000 3d4 (3H ) 8h 2Po -0.01964 0.00000 3d4 (3D ) 8p 2Po -0.01447 0.00000 3d4 (3F ) 8f 2Po -0.00758 0.00000 Eqv st (0S ) 0s a2D -3.56669 -3.56669 Eqv st (0S ) 0s b2D -3.34458 -3.34458 Eqv st (0S ) 0s c2D -3.03357 -3.03357 3d4 (3D ) 4s d2D -2.45811 -2.45811 3d4 (1D 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-0.31475 0.00000 3d4 (1I ) 5f h2Io -0.30677 0.00000 3d4 (3H ) 7p g2Io -0.25204 0.00000 3d4 (3H ) 6f f2Io -0.21736 0.00000 3d4 (3H ) 6h e2Io -0.21432 0.00000 3d4 (3P ) 6h d2Io -0.21022 0.00000 3d4 (3F ) 6f c2Io -0.20375 0.00000 3d4 (3F ) 6h b2Io -0.19938 0.00000 3d4 (3G ) 6f a2Io -0.17379 0.00000 3d4 (3G ) 6h Z2Io -0.16940 0.00000 3d4 (1F ) 5f Y2Io -0.16579 0.00000 3d4 (1I ) 7p X2Io -0.14380 0.00000 3d4 (3H ) 8p W2Io -0.11954 0.00000 3d4 (1G ) 6f V2Io -0.11667 0.00000 3d4 (1G ) 6h U2Io -0.11091 0.00000 3d4 (3D ) 6h T2Io -0.10977 0.00000 3d4 (1I ) 6f S2Io -0.10870 0.00000 3d4 (1I ) 6h R2Io -0.10274 0.00000 3d4 (3H ) 7f Q2Io -0.09824 0.00000 3d4 (3H ) 7h P2Io -0.09637 0.00000 3d4 (3P ) 7h O2Io -0.09232 0.00000 3d4 (3F ) 7f N2Io -0.08444 0.00000 3d4 (3F ) 7h M2Io -0.08152 0.00000 3d4 (3F ) 5f L2Io -0.07629 0.00000 3d4 (3G ) 7f K2Io -0.05439 0.00000 3d4 (3G ) 7h J2Io -0.05151 0.00000 3d4 (3H ) 9p I2Io -0.03498 0.00000 3d4 (1D ) 6h H2Io -0.02285 0.00000 3d4 (3H ) 8f G2Io -0.02128 0.00000 3d4 (3H ) 8h F2Io -0.01982 0.00000 3d4 (3H ) 8k E2Io -0.01977 0.00000 3d4 (3P ) 8h D2Io -0.01579 0.00000 3d4 (1I ) 8p C2Io -0.00986 0.00000 3d4 (3F ) 8f B2Io -0.00740 0.00000 3d4 (3F ) 8k A2Io -0.00506 0.00000 3d4 (3F ) 8h 2Io -0.00501 0.00000 Eqv st (0S ) 0s a2I -3.59093 -3.59093 3d4 (1I ) 4s b2I -2.48411 -2.48411 3d4 (3H ) 4d c2I -1.24200 0.00000 3d4 (3G ) 4d d2I -1.21231 0.00000 3d4 (1G ) 4d e2I -1.17064 0.00000 3d4 (1I ) 4d f2I -1.04356 0.00000 3d4 (1I ) 5s g2I -1.01449 0.00000 3d4 (1G ) 4d h2I -0.81703 0.00000 3d4 (3H ) 5d i2I -0.61287 0.00000 3d4 (3G ) 5d j2I -0.57655 0.00000 3d4 (1G ) 5d k2I -0.53051 0.00000 3d4 (1I ) 5d l2I -0.49269 0.00000 3d4 (1I ) 6s m2I -0.46802 0.00000 3d4 (3H ) 5g n2I -0.41028 0.00000 3d4 (3F ) 5g o2I -0.39493 0.00000 3d4 (3G ) 5g p2I -0.36494 0.00000 3d4 (3H ) 6d q2I -0.32142 0.00000 3d4 (1G ) 5g r2I -0.30617 0.00000 3d4 (3D ) 5g s2I -0.30515 0.00000 3d4 (1I ) 5g t2I -0.29899 0.00000 3d4 (3G ) 6d u2I -0.28332 0.00000 3d4 (1G ) 6d v2I -0.23248 0.00000 3d4 (1D ) 5g w2I -0.21758 0.00000 3d4 (1I ) 6d x2I -0.21562 0.00000 3d4 (3H ) 6g y2I -0.21451 0.00000 3d4 (1G ) 5d z2I -0.20978 0.00000 3d4 (3F ) 6g A2I -0.19950 0.00000 3d4 (1I ) 7s B2I -0.19671 0.00000 3d4 (3G ) 6g C2I -0.16947 0.00000 3d4 (1F ) 5g D2I -0.16061 0.00000 3d4 (3H ) 7d E2I -0.15873 0.00000 3d4 (3G ) 7d F2I -0.12012 0.00000 3d4 (1G ) 6g G2I -0.11087 0.00000 3d4 (3D ) 6g H2I -0.10975 0.00000 3d4 (1I ) 6g I2I -0.10313 0.00000 3d4 (3H ) 7g J2I -0.09651 0.00000 3d4 (3H ) 7i K2I -0.09632 0.00000 3d4 (3P ) 7i L2I -0.09232 0.00000 3d4 (3F ) 7g M2I -0.08161 0.00000 3d4 (3F ) 7i N2I -0.08157 0.00000 3d4 (3F ) 5g O2I -0.07348 0.00000 3d4 (1G ) 7d P2I -0.06837 0.00000 3d4 (3H ) 8d Q2I -0.06479 0.00000 3d4 (3G ) 7g R2I -0.05155 0.00000 3d4 (3G ) 7i S2I -0.05152 0.00000 3d4 (1I ) 7d T2I -0.04956 0.00000 3d4 (1I ) 8s U2I -0.04240 0.00000 3d4 (1D ) 6g V2I -0.02238 0.00000 3d4 (3H ) 8g W2I -0.01994 0.00000 3d4 (3G ) 8d X2I -0.01980 0.00000 3d4 (3H ) 8i Y2I -0.01978 0.00000 3d4 (3P ) 8i Z2I -0.01579 0.00000 3d4 (3F ) 8g 2I -0.00509 0.00000 3d4 (3F ) 8i 2I -0.00504 0.00000 3d4 (1I ) 4p z2Ko -1.92538 -1.92538 3d4 (1I ) 5p y2Ko -0.80819 0.00000 3d4 (3H ) 4f x2Ko -0.77776 0.00000 3d4 (3G ) 4f w2Ko -0.73414 0.00000 3d4 (1G ) 4f v2Ko -0.68074 0.00000 3d4 (1I ) 4f u2Ko -0.67360 0.00000 3d4 (3H ) 5f t2Ko -0.41505 0.00000 3d4 (3G ) 5f s2Ko -0.37246 0.00000 3d4 (1I ) 6p r2Ko -0.36858 0.00000 3d4 (1G ) 4f q2Ko -0.36115 0.00000 3d4 (1G ) 5f p2Ko -0.31642 0.00000 3d4 (1I ) 5f o2Ko -0.30810 0.00000 3d4 (3H ) 6f n2Ko -0.21745 0.00000 3d4 (3H ) 6h m2Ko -0.21435 0.00000 3d4 (3F ) 6h l2Ko -0.19945 0.00000 3d4 (3G ) 6f k2Ko -0.17368 0.00000 3d4 (3G ) 6h j2Ko -0.16939 0.00000 3d4 (1I ) 7p i2Ko -0.14206 0.00000 3d4 (1G ) 6f h2Ko -0.11764 0.00000 3d4 (1G ) 6h g2Ko -0.11091 0.00000 3d4 (1I ) 6f f2Ko -0.10978 0.00000 3d4 (3D ) 6h e2Ko -0.10966 0.00000 3d4 (1I ) 6h d2Ko -0.10287 0.00000 3d4 (3H ) 7f c2Ko -0.09790 0.00000 3d4 (3H ) 7h b2Ko -0.09638 0.00000 3d4 (3F ) 7h a2Ko -0.08156 0.00000 3d4 (3G ) 7f Z2Ko -0.05437 0.00000 3d4 (3G ) 7h Y2Ko -0.05151 0.00000 3d4 (1D ) 6h X2Ko -0.02238 0.00000 3d4 (3H ) 8f W2Ko -0.02147 0.00000 3d4 (3H ) 8h V2Ko -0.01983 0.00000 3d4 (3H ) 8k U2Ko -0.01977 0.00000 3d4 (3P ) 8k T2Ko -0.01579 0.00000 3d4 (1I ) 8p S2Ko -0.00890 0.00000 3d4 (3F ) 8h R2Ko -0.00506 0.00000 3d4 (3F ) 8k Q2Ko -0.00504 0.00000 ----------------------------------------------------------------------------- iii) Table of complete set (both negative and positive) of energies ------------------------------------------------------------------- In conveninent numerical format for various applications Table explanation: Line 1: Z nelc typ -> Nuclear charge, number of core electrons, E=energy file This line is followed by sets of energies belonging to various SLpi symmetries. Each SLpi has the follwoing lines. Line : (2S+1) L pi(=0 for even, =1 for odd parities) Ne (number of states) Line : Core state (see target table) and energy Lines - Ne number of lines: Index, T(valence electron state)/C(equivalent electron state), Core state number, n, l, energy (Ry) Ex: 1 T 1 3 0 -3.33037E-01 -> energy 1, Valence electron state, first core state (that is the ground state), n=3, l=0 (=s), energy in Ry ------------------------------------------------------ 26 22 E 6 0 0 9 1 0.000000E+00 1 C 0 0 0 -4.02000E+00 2 T 1 4 2 -1.39828E+00 3 T 1 5 2 -8.16356E-01 4 T 1 6 2 -5.40910E-01 5 T 1 7 2 -3.85681E-01 6 T 1 8 2 -2.88913E-01 7 T 1 9 2 -2.24491E-01 8 T 1 10 2 -1.79445E-01 9 T 1 11 2 -1.46716E-01 6 1 0 8 1 0.000000E+00 1 T 1 4 2 -1.55722E+00 2 T 1 5 2 -8.75990E-01 3 T 1 6 2 -5.71725E-01 4 T 1 7 2 -4.03665E-01 5 T 1 8 2 -3.00303E-01 6 T 1 9 2 -2.32159E-01 7 T 1 10 2 -1.84856E-01 8 T 1 11 2 -1.50677E-01 6 1 1 17 1 0.000000E+00 1 T 1 4 1 -2.28789E+00 2 T 1 5 1 -1.16395E+00 3 T 1 4 3 -1.01763E+00 4 T 1 6 1 -7.17123E-01 5 T 1 5 3 -6.50577E-01 6 T 1 7 1 -4.87202E-01 7 T 1 6 3 -4.51147E-01 8 T 1 8 1 -3.52665E-01 9 T 1 7 3 -3.31080E-01 10 T 1 9 1 -2.67149E-01 11 T 1 8 3 -2.53216E-01 12 T 1 10 1 -2.09398E-01 13 T 1 9 3 -1.99879E-01 14 T 1 11 1 -1.68557E-01 15 T 1 10 3 -1.61762E-01 16 T 1 12 1 -1.38607E-01 17 T 1 11 3 -1.33584E-01 6 2 0 24 1 0.000000E+00 1 T 1 4 0 -2.84921E+00 2 T 1 4 2 -1.53345E+00 3 T 1 5 0 -1.36657E+00 4 T 1 5 2 -8.67188E-01 5 T 1 6 0 -8.14055E-01 6 T 1 5 4 -6.42480E-01 7 T 1 6 2 -5.67387E-01 8 T 1 7 0 -5.40929E-01 9 T 1 6 4 -4.45796E-01 10 T 1 7 2 -4.01145E-01 11 T 1 8 0 -3.85479E-01 12 T 1 7 4 -3.27421E-01 13 T 1 8 2 -2.98717E-01 14 T 1 9 0 -2.88656E-01 15 T 1 8 4 -2.50609E-01 16 T 1 9 2 -2.31095E-01 17 T 1 10 0 -2.24256E-01 18 T 1 9 4 -1.97964E-01 19 T 1 10 2 -1.84106E-01 20 T 1 11 0 -1.79249E-01 21 T 1 10 4 -1.60318E-01 22 T 1 11 2 -1.50129E-01 23 T 1 12 0 -1.46556E-01 24 T 1 11 4 -1.32472E-01 6 2 1 17 1 0.000000E+00 1 T 1 4 1 -2.25826E+00 2 T 1 5 1 -1.15082E+00 3 T 1 4 3 -1.01721E+00 4 T 1 6 1 -7.11243E-01 5 T 1 5 3 -6.51860E-01 6 T 1 7 1 -4.84193E-01 7 T 1 6 3 -4.52179E-01 8 T 1 8 1 -3.50860E-01 9 T 1 7 3 -3.31736E-01 10 T 1 9 1 -2.65969E-01 11 T 1 8 3 -2.53629E-01 12 T 1 10 1 -2.08582E-01 13 T 1 9 3 -2.00147E-01 14 T 1 11 1 -1.67969E-01 15 T 1 10 3 -1.61941E-01 16 T 1 12 1 -1.38169E-01 17 T 1 11 3 -1.33708E-01 6 3 0 15 1 0.000000E+00 1 T 1 4 2 -1.52852E+00 2 T 1 5 2 -8.65417E-01 3 T 1 5 4 -6.40248E-01 4 T 1 6 2 -5.66572E-01 5 T 1 6 4 -4.44651E-01 6 T 1 7 2 -4.00676E-01 7 T 1 7 4 -3.26690E-01 8 T 1 8 2 -2.98424E-01 9 T 1 8 4 -2.50121E-01 10 T 1 9 2 -2.30900E-01 11 T 1 9 4 -1.97623E-01 12 T 1 10 2 -1.83969E-01 13 T 1 10 4 -1.60071E-01 14 T 1 11 2 -1.50028E-01 15 T 1 11 4 -1.32287E-01 6 3 1 23 1 0.000000E+00 1 T 1 4 1 -2.29546E+00 2 T 1 5 1 -1.16369E+00 3 T 1 4 3 -1.01042E+00 4 T 1 6 1 -7.16951E-01 5 T 1 5 3 -6.48377E-01 6 T 1 7 1 -4.87162E-01 7 T 1 6 3 -4.50251E-01 8 T 1 6 5 -4.45043E-01 9 T 1 8 1 -3.52637E-01 10 T 1 7 3 -3.30522E-01 11 T 1 7 5 -3.26902E-01 12 T 1 9 1 -2.67126E-01 13 T 1 8 3 -2.52816E-01 14 T 1 8 5 -2.50247E-01 15 T 1 10 1 -2.09379E-01 16 T 1 9 3 -1.99577E-01 17 T 1 9 5 -1.97706E-01 18 T 1 11 1 -1.68542E-01 19 T 1 10 3 -1.61527E-01 20 T 1 10 5 -1.60130E-01 21 T 1 12 1 -1.38595E-01 22 T 1 11 3 -1.33398E-01 23 T 1 11 5 -1.32330E-01 6 4 0 19 1 0.000000E+00 1 T 1 4 2 -1.55312E+00 2 T 1 5 2 -8.74508E-01 3 T 1 5 4 -6.38923E-01 4 T 1 6 2 -5.71030E-01 5 T 1 6 4 -4.44003E-01 6 T 1 7 2 -4.03272E-01 7 T 1 7 6 -3.26651E-01 8 T 1 7 4 -3.26279E-01 9 T 1 8 2 -3.00060E-01 10 T 1 8 6 -2.50113E-01 11 T 1 8 4 -2.49847E-01 12 T 1 9 2 -2.31998E-01 13 T 1 9 6 -1.97619E-01 14 T 1 9 4 -1.97432E-01 15 T 1 10 2 -1.84743E-01 16 T 1 10 4 -1.60067E-01 17 T 1 10 6 -1.59933E-01 18 T 1 11 2 -1.50595E-01 19 T 1 11 4 -1.32283E-01 6 4 1 13 1 0.000000E+00 1 T 1 4 3 -1.00821E+00 2 T 1 5 3 -6.47412E-01 3 T 1 6 3 -4.49759E-01 4 T 1 6 5 -4.44416E-01 5 T 1 7 3 -3.30225E-01 6 T 1 7 5 -3.26515E-01 7 T 1 8 3 -2.52621E-01 8 T 1 8 5 -2.49991E-01 9 T 1 9 3 -1.99441E-01 10 T 1 9 5 -1.97525E-01 11 T 1 10 3 -1.61428E-01 12 T 1 10 5 -1.59996E-01 13 T 1 11 3 -1.33324E-01 6 5 0 10 1 0.000000E+00 1 T 1 5 4 -6.38676E-01 2 T 1 6 4 -4.43853E-01 3 T 1 7 6 -3.26519E-01 4 T 1 7 4 -3.26178E-01 5 T 1 8 6 -2.49989E-01 6 T 1 8 4 -2.49777E-01 7 T 1 9 6 -1.97522E-01 8 T 1 9 4 -1.97382E-01 9 T 1 10 6 -1.59993E-01 10 T 1 10 4 -1.59896E-01 6 5 1 17 1 0.000000E+00 1 T 1 4 3 -1.02050E+00 2 T 1 5 3 -6.53609E-01 3 T 1 6 3 -4.53192E-01 4 T 1 6 5 -4.44057E-01 5 T 1 7 3 -3.32380E-01 6 T 1 7 5 -3.26303E-01 7 T 1 8 3 -2.54064E-01 8 T 1 8 7 -2.50017E-01 9 T 1 8 5 -2.49851E-01 10 T 1 9 3 -2.00453E-01 11 T 1 9 7 -1.97553E-01 12 T 1 9 5 -1.97427E-01 13 T 1 10 3 -1.62165E-01 14 T 1 10 7 -1.60021E-01 15 T 1 10 5 -1.59924E-01 16 T 1 11 3 -1.33876E-01 17 T 1 11 5 -1.32250E-01 6 6 0 14 1 0.000000E+00 1 T 1 5 4 -6.41392E-01 2 T 1 6 4 -4.45276E-01 3 T 1 7 4 -3.27100E-01 4 T 1 7 6 -3.26445E-01 5 T 1 8 4 -2.50400E-01 6 T 1 8 6 -2.49921E-01 7 T 1 9 4 -1.97820E-01 8 T 1 9 8 -1.97533E-01 9 T 1 9 6 -1.97469E-01 10 T 1 10 4 -1.60216E-01 11 T 1 10 8 -1.60003E-01 12 T 1 10 6 -1.59953E-01 13 T 1 11 4 -1.32396E-01 14 T 1 11 6 -1.32235E-01 6 6 1 8 1 0.000000E+00 1 T 1 6 5 -4.44059E-01 2 T 1 7 5 -3.26299E-01 3 T 1 8 7 -2.50003E-01 4 T 1 8 5 -2.49844E-01 5 T 1 9 7 -1.97532E-01 6 T 1 9 5 -1.97421E-01 7 T 1 10 5 -1.60000E-01 8 T 1 10 7 -1.59919E-01 6 7 0 7 1 0.000000E+00 1 T 1 7 6 -3.26454E-01 2 T 1 8 6 -2.49929E-01 3 T 1 9 8 -1.97532E-01 4 T 1 9 6 -1.97474E-01 5 T 1 10 6 -1.60002E-01 6 T 1 10 8 -1.59956E-01 7 T 1 11 6 -1.32233E-01 6 7 1 11 1 0.000000E+00 1 T 1 6 5 -4.44788E-01 2 T 1 7 5 -3.26746E-01 3 T 1 8 5 -2.50149E-01 4 T 1 8 7 -2.49985E-01 5 T 1 9 5 -1.97637E-01 6 T 1 9 7 -1.97513E-01 7 T 1 10 5 -1.60079E-01 8 T 1 10 9 -1.60000E-01 9 T 1 10 7 -1.59983E-01 10 T 1 11 5 -1.32291E-01 11 T 1 11 7 -1.32232E-01 4 0 0 13 1 0.000000E+00 1 T 1 4 2 -1.57596E+00 2 T 7 4 2 -1.17883E+00 3 T 1 5 2 -8.82199E-01 4 T 1 6 2 -5.74891E-01 5 T 7 5 2 -5.32612E-01 6 T 1 7 2 -4.05413E-01 7 T 5 5 4 -3.65799E-01 8 T 1 8 2 -3.01424E-01 9 T 7 6 2 -2.33844E-01 10 T 1 9 2 -2.32147E-01 11 T 1 10 2 -1.85373E-01 12 T 5 6 4 -1.69961E-01 13 T 1 11 2 -1.51060E-01 4 0 1 27 1 0.000000E+00 1 T 3 4 1 -1.67346E+00 2 T 13 4 1 -1.48890E+00 3 T 3 5 1 -9.13913E-01 4 T 4 4 3 -7.64920E-01 5 T 13 5 1 -5.73394E-01 6 T 3 6 1 -4.75656E-01 7 T 12 4 3 -4.29902E-01 8 T 4 5 3 -4.00994E-01 9 T 3 7 1 -2.49358E-01 10 T 2 6 5 -2.13857E-01 11 T 4 6 3 -2.04020E-01 12 T 13 6 1 -1.39350E-01 13 T 3 8 1 -1.16026E-01 14 T 2 7 5 -9.60784E-02 15 T 4 7 3 -8.50714E-02 16 T 12 5 3 -7.28503E-02 17 T 3 9 1 -3.14780E-02 18 T 2 8 5 -1.96217E-02 19 T 4 8 3 -7.23645E-03 20 T 3 10 1 2.57991E-02 21 T 2 9 5 3.28047E-02 22 T 4 9 3 4.57907E-02 23 T 3 11 1 6.63292E-02 24 T 2 10 5 7.03084E-02 25 T 4 10 3 8.37068E-02 26 T 13 7 1 8.60825E-02 27 T 3 12 1 9.62036E-02 4 1 0 38 1 0.000000E+00 1 C 0 0 0 -3.69827E+00 2 T 3 4 0 -2.60779E+00 3 T 13 4 0 -2.28421E+00 4 T 1 4 2 -1.49704E+00 5 T 3 4 2 -1.29031E+00 6 T 4 4 2 -1.20221E+00 7 T 3 5 0 -1.13146E+00 8 T 7 4 2 -1.12601E+00 9 T 12 4 2 -9.23488E-01 10 T 13 4 2 -8.77468E-01 11 T 1 5 2 -8.42416E-01 12 T 13 5 0 -7.94356E-01 13 T 3 5 2 -6.28932E-01 14 T 4 5 2 -5.98926E-01 15 T 3 6 0 -5.77920E-01 16 T 1 6 2 -5.52279E-01 17 T 7 5 2 -5.15402E-01 18 T 3 5 4 -4.08592E-01 19 T 4 5 4 -3.95750E-01 20 T 1 7 2 -3.94894E-01 21 T 5 5 4 -3.65598E-01 22 T 3 6 2 -3.29975E-01 23 T 4 6 2 -3.11516E-01 24 T 3 7 0 -3.05721E-01 25 T 12 5 2 -2.96873E-01 26 T 1 8 2 -2.89723E-01 27 T 13 5 2 -2.77304E-01 28 T 13 6 0 -2.44713E-01 29 T 7 6 2 -2.31077E-01 30 T 1 9 2 -2.23106E-01 31 T 3 6 4 -2.13617E-01 32 T 4 6 4 -1.99900E-01 33 T 1 10 2 -1.82475E-01 34 T 5 6 4 -1.69848E-01 35 T 3 7 2 -1.64190E-01 36 T 3 6 0 -1.52093E-01 37 T 1 12 2 -1.50667E-01 38 T 4 7 2 -1.43893E-01 4 1 1 39 1 0.000000E+00 1 T 1 4 1 -2.26573E+00 2 T 3 4 1 -2.03953E+00 3 T 7 4 1 -1.93932E+00 4 T 13 4 1 -1.72845E+00 5 T 1 5 1 -1.15416E+00 6 T 1 4 3 -1.02304E+00 7 T 3 5 1 -9.19510E-01 8 T 7 5 1 -8.16915E-01 9 T 4 4 3 -7.66989E-01 10 T 5 4 3 -7.37998E-01 11 T 1 6 1 -7.12299E-01 12 T 7 4 3 -6.76979E-01 13 T 1 5 3 -6.53567E-01 14 T 13 5 1 -5.92836E-01 15 T 1 7 1 -4.85860E-01 16 T 3 6 1 -4.77267E-01 17 T 1 6 3 -4.53084E-01 18 T 12 4 3 -4.34790E-01 19 T 4 5 3 -4.02352E-01 20 T 7 6 1 -3.76685E-01 21 T 5 5 3 -3.73833E-01 22 T 1 8 1 -3.51071E-01 23 T 1 7 3 -3.32094E-01 24 T 7 5 3 -3.13958E-01 25 T 1 9 1 -2.66267E-01 26 T 1 8 3 -2.53962E-01 27 T 3 7 1 -2.50507E-01 28 T 2 6 5 -2.13902E-01 29 T 1 10 1 -2.08860E-01 30 T 4 6 3 -2.04797E-01 31 T 1 9 3 -2.00037E-01 32 T 5 6 3 -1.75403E-01 33 T 5 6 5 -1.69596E-01 34 T 1 11 1 -1.68057E-01 35 T 1 10 3 -1.62066E-01 36 T 7 7 1 -1.53833E-01 37 T 13 6 1 -1.43963E-01 38 T 1 12 1 -1.38196E-01 39 T 1 11 3 -1.33792E-01 4 2 1 54 1 0.000000E+00 1 T 1 4 1 -2.17605E+00 2 T 3 4 1 -2.06667E+00 3 T 4 4 1 -2.01769E+00 4 T 7 4 1 -1.95086E+00 5 T 12 4 1 -1.72613E+00 6 T 13 4 1 -1.66078E+00 7 T 1 5 1 -1.12437E+00 8 T 1 4 3 -1.00704E+00 9 T 3 5 1 -9.26035E-01 10 T 4 5 1 -9.05634E-01 11 T 7 5 1 -8.21815E-01 12 T 2 4 3 -7.77364E-01 13 T 3 4 3 -7.75631E-01 14 T 4 4 3 -7.68885E-01 15 T 5 4 3 -7.34312E-01 16 T 1 6 1 -6.98786E-01 17 T 7 4 3 -6.75119E-01 18 T 1 5 3 -6.44457E-01 19 T 13 5 1 -5.92175E-01 20 T 12 5 1 -5.67015E-01 21 T 3 6 1 -4.80527E-01 22 T 1 7 1 -4.77630E-01 23 T 4 6 1 -4.67026E-01 24 T 1 6 3 -4.47590E-01 25 T 12 4 3 -4.47360E-01 26 T 13 4 3 -4.33910E-01 27 T 2 5 3 -4.15402E-01 28 T 3 5 3 -4.12595E-01 29 T 4 5 3 -4.04536E-01 30 T 7 6 1 -3.79725E-01 31 T 5 5 3 -3.71400E-01 32 T 1 8 1 -3.46636E-01 33 T 1 7 3 -3.28498E-01 34 T 7 5 3 -3.12484E-01 35 T 1 9 1 -2.63369E-01 36 T 3 7 1 -2.51730E-01 37 T 1 8 3 -2.51475E-01 38 T 4 7 1 -2.39626E-01 39 T 2 6 3 -2.18234E-01 40 T 3 6 3 -2.15186E-01 41 T 2 6 5 -2.13981E-01 42 T 1 10 1 -2.06859E-01 43 T 4 6 3 -2.05764E-01 44 T 4 6 5 -1.99657E-01 45 T 1 9 3 -1.98498E-01 46 T 5 6 3 -1.74578E-01 47 T 5 6 5 -1.69543E-01 48 T 1 11 1 -1.66686E-01 49 T 1 10 3 -1.60780E-01 50 T 7 7 1 -1.52527E-01 51 T 13 6 1 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