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Elsevier Editorial System(tm) for Atomic Data and Nuclear Data Tables Manuscript Draft Manuscript Number: ADNDT-D-12-00017 Title: Reduced matrix elements of spin-spin interactions for the atomic f-electron configurations Article Type: Regular Article Corresponding Author: Dr. Yau-yuen Yeung, PhD Corresponding Author's Institution: Hong Kong Institute of Education First Author: Yau-yuen Yeung, PhD Order of Authors: Yau-yuen Yeung, PhD Suggested Reviewers: Opposed Reviewers:

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Reduced matrix elements of spin-spin interactions for the atomic f-electron configurations Y.Y. Yeung Department of Science and Environmental Studies Hong Kong Institute of Education, HONG KONG Abstract A re-examination of some major references on the intra-atomic magnetic interactions over the last six decades reveals that there exist some gaps or puzzles concerning the previous studies of the spin-spin interactions for the atomic f-shell electrons. Hence, tables are provided for the relevant reduced matrix elements of the four double-tensor operators zr (r = 1, 2, 3, and 4) of rank 2 in both the orbital and spin spaces. The range of the tables covers all states of the configurations from f 4 to f 7. Keywords: Spin-spin interaction, atomic theory, optical spectroscopy, f-shell electrons

1 atomicdata2012yyyeung2main.doc

1.

Introduction For the theoretical understanding of the complex spectra of f-shell electrons (including lanthanide and actinide ions), Racah [1-4] introduced the famous tensor operator techniques to parametrize the prominent electrostatic and spin-orbit interactions. Since the mid 1960’s to early 2000, Judd and his co-workers [5-16] conducted a series of group-theoretical formulations and reformulations of inter-configuration interactions (in the form of three-electron effective operators, ti) and several kinds of intra-atomic magnetic interactions (i.e. spin-spin HSS, spin-other-orbit HSOO and electrostatically-correlated spin-orbit HEL-SO interactions) for f-shell electrons. These led to a substantial refinement in modeling and parametrizing the atomic spectra of f electrons and became the standard terms [17-21] for fitting the energy levels of these systems. In the 1980’s, the concept of orthogonal scalar operators [10-11] was extensively applied to the six three-electron operators ti (with associated parameters Ti where i = 2 .. 8, excluding 5) and extended to include another eight three-electron operators ti (where i = 11 .. 19, excluding 13) for the third-order effects. In 1994, Judd and Lo [13] reported the corrections in some reduced matrix elements (RME) of those operators near the middle of the f-shell series because of an error found in the coefficients of fractional parentage (CFP) used in their research team. However, a similar kind of correction was not reported for the RME of the above-mentioned magnetic interaction operators. The complete set of RME for those operators of all f-shell configurations were released by Hansen, Judd and Crosswhite [14] in 1996. Recently, Chen et al. [21] also reported several errors in the widely used RME computer files for the HSOO and HEL-SO operators for the f 2 to f 7configurations. On the other hand, a parallel treatment of the corresponding operators of those magnetic interactions was introduced into the 3dN shell by Judd [22] in 1967 and by Pasternak and Goldschmidt [23] in 1972 and later a complete set of RME were given by Hansen and Judd [24-25] for all the relevant operators in the d2 and d3 configurations when they applied the orthogonal operator formalism in the d-shell configuration. For the p-shell configuration, Glass [26] identified some errors in the previous treatment of the matrix elements of the HSS and HSOO Hamiltonian and confirmed the correct expression given by Hoire [27].

2.

Operators and the gaps in usage Judd and his co-workers[6-8] expressed the intra-atomic magnetic interactions in terms of the scalar components of a set of double-tensor operators, zr , which have rank t in both the orbital and spin spaces. Between two J-multiplet states of f N, their matrix elements can be written as a product of a 6-j symbol and a RME for states ψ and ψ’ which are taken as abbreviations for the sets of quantum numbers (γSL) and (γ’S’L’) used in Nielson and Koster’s notation [28-30]: 2 atomicdata2012yyyeung2main.doc

S ' L' J   J | zr | ' J '   JJ ' ( 1) S '  L  J     || zr || '  L S t  Based on those operators, zr, the spin-spin Hamiltonian3 becomes HSS =

a z

r 1..4

(1)

(2)

r r

in which its rank t = 2, while the sum of the spin-other-orbit and electrostatically-correlated spin-orbit Hamiltonian [7-9] becomes HSOO + HEL-SO =

a z

r  5..11

r r

 a c zc

(3)

in which they both possess the rank t = 1. The parameters ar can be written as linear combinations of the Marvin integrals [31-32] M k and the Pk parameters (defined in Ref. [7]). For actual use and calculation of the spin-spin matrix elements, there are several gaps or issues found in the literature as follows: 2.1. Definition of operators When fitting the atomic energy levels, many researchers [17-22, 33-35] usually express the Hamiltonian matrices for HSOO and HSS in terms of the Marvin integrals M k and their associated operators mk , while the matrices for the HEL-SO Hamiltonian are given in terms of the Pk parameters and their associated operators pk. Hence, HSS + HSOO =

M

k  0, 2 , 4

HEL-SO =

P

k  2, 4,6

k

k

mk

pk

(4) (5)

On comparing Eqs. (3), (4) and (5), the operators pk can be well-defined in terms of the operators zr but special attention should be paid to the operators mk. The latter operators should first be separated into the spin-spin and spin-other-orbit components, i.e.

mk  mkSS  mkSOO but their RME must not be added together numerically before using Eq. (1) because those two components have different rank t for their constituent operators zr. For the spin-spin component, we have: m0SS  43 z1 1 m2SS  105 ( 112 z1  9 z2  1,560z3  4,095z4 )

m4SS 

5 66

(6)

(16z1  3z2  240z3  315z4 )

For the spin-other-orbit component [7-8], its operators mkSOO can be expressed as another linear combination [36] of rank one operators zr where r = 5, 6, .. 14. Therefore, 3 atomicdata2012yyyeung2main.doc

the first gap is that many researchers [16-21, 33-34] might have overlooked the above issue when fitting those parameters to the observed energy levels and then this causes some problems in their fitted value of M k because of the gap described in Subsection 2.3 below. 2.2. Omission of spin-spin interaction Around 1968-1970, a number of researchers [7-9, 37-39] worked out and published the RME of zr (i.e. right-most term of Eq.(1)) for all operators (r = 0 to 14) of the f 2 and f 3configurations, and those for HSOO + HEL-SO (i.e. r = 5 to 11, and c) of the f 4 and f 5 configurations. In 1969, Donlan [40] claimed that he had calculated the spin-spin and spin-other-orbit matrices for the f N configurations by using his calculated values of the two particle CFP but none of his tables or computer data files are available to the academic community (see also Ref.[35]). On the other hand, Hannah Crosswhite worked out the numerical values of operators mkSOO and pk for all f N configurations (where N = 2 to 7) in her FORTRAN computer program and they are now included in the “fnmp.dat” files of the SPECTRA program [20-21, 41] in the Argonne National Laboratory and in the “fncross” files as included in M.F. Reid’s fitting programme [42] at the University of Christchurch. Barnes et al. [39] calculated the matrix elements for the spin-spin operators in the f 4 configuration for different J-multipets of mkSS , whilst Armstrong and Taylor [37] obtained the RME of the corresponding operators zr (with r = 0 to 4). Even though Malli and Saxena [43-44] calculated the spin-spin splitting factors for different f N configurations, yet their values correspond only to the diagonal components of the RME of the mkSS operators. In 1993, Rahman [45] produced the RME of both mkSS and mkSOO operators

for the f 2 configuration only. Therefore,

another gap is that no complete list of RME for the spin-spin operators zr (with r = 1 to 4) of any f N configurations can be found in the literature, nor are these available from any data files in the public domain. 2.3. Significance of spin-spin interaction in lanthanide spectroscopy For the previous fittings of free-ion and crystal field parameters to the observed energy levels of the lanthanide or actinide series, as performed by Hannah Crosswhite and her co-workers [46-47], it is now verified [36] from their fitted values of free-ion parameters that the spin-spin component was absent from the fitting in the LaCl3:Ho3+ system [46] despite of its presence in the LaCl3:Nd3+ case [47]. This may have arisen 4 atomicdata2012yyyeung2main.doc

because they possessed the RME of the spin-spin operators only up to the f 3 configuration. Besides, it is also checked that Crosswhite’s offspring fitting programs, i.e. Reid’s version and the SPECTRA program both do not use the RME of the spin-spin operators. Their operators mk are simply set to be mkSOO and their given reasons are that: (a) the effects of spin-spin interaction are rather small, and (b) those effects could be effectively absorbed in the operators for the spin-other-orbit interaction. For another fitting program called ATOME as independently developed by Denis Garcia and Michele Faucher [48-49] in the late 1980’s, the spin-spin interaction Hamiltonian was absent right from its earliest version despite of the subsequent addition [33] of the HSOO and HEL-SO Hamiltonian in the early 2000’s. This is the third and most severe gap because the spin-spin interaction can lead to quite significant shifts in the calculated energy levels [36], e.g., by 20-30 cm-1 in 3P0,1 multiplets of Cs2NaLnCl6:Tm3+, up to around 10 cm-1 in various 4IJ and 4GJ multiplets of LaCl3:Nd3+ and around 25 cm-1 in the 5I4 multiplets of LaCl3:Ho3+. Those shifts are comparable with the effects (around 10-30 cm-1) of the correlation crystal field [35, 50-51] or the configuration-interaction assisted crystal field [33] (i.e., configuration interaction of the f-shell with a charge transfer configuration) and so the inclusion of the spin-spin interaction Hamiltonian will likely cause a substantial change in the fitted values of those parameters concerned. Besides, the effect of this HSS Hamiltonian cannot be absorbed by simply adjusting the values of the M k parameters because of the gap mentioned in Subsection 2.1 above, i.e., the matrix elements of HSOO and HSS are orthogonal [36] to each other due to the different rank t used in Eq. (1) and so they vary independently for different energy levels. In view of the above 3 kinds of gap, the RME of the spin-spin operators are calculated in the next Section for the f 4 to f 7 configurations. Three ways of checking the calculated values are also presented. 3.

Reduced matrix elements Since Judd and Wadzinski [6] have presented the RME of the operators zr (with r = 1 to 4) through the decomposition of the spin-spin interaction for the f 2 configuration, those for other f N configurations can be calculated by successive application of the following formula [7]:  f N || zr || f N ' 

N (1)  ( {| )( '{| ' )[S , S ' , L, L' ]1 / 2 N 2  S t S '  L t L'  N 1 N 1     f  || zr || f  '  S ' 1 2 S  L' 3 L 

(7) 5

atomicdata2012yyyeung2main.doc

where ( {| ) and ( ' {| ' ) are the CFP given in Nielson and Koster’s book [28], t = 2, [S, S’, ..]≡(2S+1)∙(2S’+1).. and   S  L  S ' L'7 / 2 . The terms in the RHS of Eq. (7) should be summed over all possible parent states  and  ' of f N-1. Dating from the late 1980’s, the present author has independently developed computer programs [51-53] to calculate the energy levels and state vectors for any f-shell or d-shell ion. The relevant 6j symbol subroutine and CFP files for evaluation of the atomic spectra have been employed for the present double precision (i.e. up to 14 significant figures) calculations. In Table 1, the results of calculation are presented with the precision of six decimal points. Since the spin-spin operators are diagonal with respect to seniority number [27] and the selection rules [6]: |L-L’|≤2 and |S-S’|≤2 apply, those zero RME are not listed. Besides, the 6-j symbol in (1) imposes additional constraint that 2≤ L+L’ and 2≤ S+S’, leading to zero matrix elements between states of S, S’ = 0 or 1/2, i.e. no spin-spin effect on those low spin states. The formula has also been used for operators in HSOO + HEL-SO (with r = 5 to 11, and c) when we put t = 1. Our calculated values of those latter operators for f 3 to f 7 configurations all agree [36] with those of the “fncross” files given by M.F. Reid’s fitting programme [42] up to 10-6 as the RME are listed out with six decimal points. Since there is no complete list of computer files for the RME of the spin-spin operators, it is necessary to verify our calculated results through the following 3 alternative ways: 3.1. Comparison with literature values For the f 3 shell, the RME of the operators zr (with r = 0 to 11, and c) and the matrix elements of the operators mkSS were given in Refs. [8] and [38], respectively. By using Eq. (1) together with Eq. (6), the present calculated values may be compared with those given in Ref. [38]. By random sampling of around two dozen RME for manual comparison, no discrepancy could be found between the various sources of values (apart from a sign correction for z4 between states 4I and 2H(2) in Ref. [8]). For the f 4 shell, the RME of the operators zr (with r = 0 to 4) and the matrix elements of the operators mkSS were given in Refs. [37] and [39], respectively. Using Eq.(6) and the same method of checking, the present calculated values agree with those given in Ref. [39] but both sets of values are greater than those given in Ref. [37] by an exact factor of 4. For other configurations like f 5 to f 7, only the splitting factors are available [7, 6 atomicdata2012yyyeung2main.doc

43-44] and they are related to the diagonal matrix elements of the operators mkSS . Again, no discrepancy was found after undergoing some manual checking. 3.2. Symmetry between conjugate configurations For a given f N configuration, its RME for every operator zr (with r = 0 to 11, and c) is identical with the corresponding one in the conjugate configuration f 1 4 -N. On the other hand, the Eq. (7) can be successively applied for N up to 13 if we derive the CFP for the more than half-filled configuration from the relevant relation in Ref. [28] (with a corrected phase factor ζ = (-1)(ν’-1)/2 where ν a seniority number), or Eq. (2-22) in Ref. [30]. It is confirmed that the pairwise comparison of corresponding RME for f 2 to f 6 (matching with f 1 2 to f 8 ) by the computer agrees up to an accuracy of 10-13 or better. All of the RME of the f 1 3 shell are calculated to be zero as expected. Even though there is no direct symmetry check for the f 7 configuration, it is noted that any errors in its RME will propagate to the RME of f 8 or higher configurations because of the Eq. (7). 3.3. Orthogonality relationship For the d-shell, the corresponding nine operators zr have been shown by Hansen and Judd [25] to be orthogonal operators. However, a similar examination was performed only for the three-electron operators [10-11], ti , in the f-shell configurations. Hence, the following orthogonality relationship for all operators zr (with r = 0 to 11, and c) in any f N configuration was checked in this study: Tr( z  z )  J , ' J ' [ J ]  J | z | ' J '    ' J ' | z |J   F ( N ) r r' r r' rr' r

(8)

where Tr is the trace operation which sums over all the diagonal matrix elements and [J]=2J+1 accounts for the multiplicity in each J-multiplet. The relationship (8) was confirmed for the RME of all r and all N and the normalization factors were also verified to follow the relationship: (14  2n )! F ( N ) / F ( 2)  r r ( N  n )!(14  N  n )!

(9)

where n = 2 is the number of electrons involved in the operator concerned. Exact values of Fr(2) are given in Table 2 together with irreducible representations of those operators in the SO7 and G2 groups. Eq. (9) is a modification of the corresponding formula for any n-electron operator in the d-shell as given by Judd and Leavitt [54]. The Eqs. (8) and (9) form an acid test on the reliability of the calculated results. It is also noted [36] that operators mkSS are not orthogonal to each other as can be easily seen from relation (6).

Computer files for the double precision version of the RME of operators zr, mkSS , mkSOO 7 atomicdata2012yyyeung2main.doc

and pk for all f N configurations (where N = 2 to 7) are available from the author by email at [email protected]. Acknowledgements Prof. Peter Tanner is sincerely thanked for his comments on this work. Thanks are also due to Dr. Mike Reid for the provision of his computer program and related data files.


References [1]

G. Racah, Phys. Rev. 51 (1942) 186-197.

[2]

G. Racah, Phys. Rev. 62 (1942) 438-462.

[3]

G. Racah, Phys. Rev. 63 (1943) 367-382.

[4]

G. Racah, Phys. Rev. 76 (1949) 1352-1365.

[5]

B.R. Judd, Phys. Rev. 141 (1966) 4-14.

[6]

B.R. Judd, H.T. Wadzinski, J. Math. Phys. 8 (1967) 2125-2130.

[7]

B.R. Judd, H.M. Crosswhite, H. Crosswhite, Phys. Rev. 169 (1968) 130-138.

[8]

H. Crosswhite, H.M. Crosswhite, B.R. Judd, Phys. Rev. 174 (1968) 89-94.

[9]

H. Crosswhite, B.R. Judd, At. Data 1 (1970) 329-357.

[10] B.R Judd, H. Crosswhite, J. Opt. Soc. Am. B1 (1984) 255-260. [11] B.R Judd, M.A. Suskin, J. Opt. Soc. Am. B1 (1984) 261-265. [12] B.R. Judd, GMS Lister, J. Phys. B: At. Mol. Phys. 26 (1993) 3177-3188. [13] B.R. Judd, E. Lo, J. Phys.: Condens. Matter 6 (1994) L799-L801. [14] J.E. Hansen, B.R. Judd, H. Crosswhite, At. Data Nucl. Data Tables 62 (1996) 1-49. [15] E. Lo, J.E. Hansen, B.R. Judd, J. Phys. B: At. Mol. Phys. 33 (2000) L819-L822. [16] B.R. Judd, J.E. Hansen, Mol. Phys. 102 (2004) 1207-1211. [17] H.M. Crosswhite, Systematic atomic and crystal-field parameters for lanthanides in LaCl3 and LaF3”, in: Spectroscopie des Elements de Transition et des Elements Lourdes dans Les Solides, Editions du CNRS, Paris, 1977, pp. 65-69. [18] S. Hufner, Optical Spectra of Transparent Rare Earth Compounds, Academic Press, New York, 1978. [19] H.M. Crosswhite, H. Crosswhite, J. Opt. Soc. Am. B1 (1984) 246-254. [20] G. K. Liu, W. T. Carnall, G. Jursich,, C. W. Williams, J. Chem. Phys. 101 (1994) 8277-8289. [21] X.Y. Chen, G.K. Liu, J. Margerie, M. F. Reid, J. Lumin. 128 (2008) 421-427. [22] B.R. Judd, Physica 33 (1967) 174-182. 9 atomicdata2012yyyeung2main.doc

[23] A. Pasternak, Z. B. Goldschmidt, Phys. Rev. A6 (1972) 55-68. [24] B.R. Judd, J.E. Hansen, A.J.J. Raassen, J. Phys. B15 (1982) 1457-1472. [25] J.E. Hansen, B.R. Judd, J. Phys. B: At. Mol. Phys. 18 (1985) 2327-2338. [26] R. Glass, Z. Physik A292 (1979) 131-134. [27] H. Horie, Prog. Theor. Phys. 10 (1953) 296-308. [28] C.W. Nielson, G.F. Koster, Spectroscopic Coefficients for the pn, d n and f n Configurations, MIT Press, Cambridge, MA, 1963. [29] B.R. Judd, Operator Techniques in Atomic Spectroscopy, McGraw-Hill, New York, 1963. [30] B.G. Wybourne, Spectroscopic Properties of Rare Earths, Interscience, New York, 1965. [31] H.H. Marvin, Phys. Rev. 71 (1947) 102-110. [32] R. E. Trees, Phys. Rev. 82 (1951) 683-688. [33] M.D. Faucher, P.A. Tanner, Mol. Phys. 101 (2003) 983-992. [34] C.-K. Duan, P.A. Tanner, J. Phys. Chem. A 114 (2010) 6055–6062. [35] B.R. Judd, Atomic theory and optical spectroscopy, in: K.A. Gschneidner, Jr., L. Eyring (Eds.), Handbook on the Physics and Chemistry of Rare Earths, Vol. 11, Elsevier, Amsterdam, 1988, pp.81-195. [36] Y.Y. Yeung, P.A. Tanner, J. Phys. Chem. A (manuscript under preparation). [37] L. Armstrong, L.H. Taylor, J. Chem. Phys. 51 (1969) 3789- 3794. [38] E. Reilly, Phys. Rev. 170 (1968) 1-7 and 174 (1968) 329. [39] J.A. Barnes, B.L. Carroll, L.M. Flores, Matrix elements of the spin-spin interactions for f4 configurations, unpublished report, NASA Center for Aerospace Information, 1969. [40] V.L. Donlan, Bull. Am. Phys. Soc. II 14 (1969) 939. [41] C.K. Liu, Lanthanide and actinide optical spectra, in: D.J. Newman, B. Ng (Eds.), Crystal Field Handbook, , Cambridge University Press, Cambridge, 2000, pp. 65-82. [42] M.F. Reid, f-shell empirical programs, Private communication, 1988. 10 atomicdata2012yyyeung2main.doc

[43] G. Malli, K. M. S. Saxena, Int. J. Qu. Chem. 5 (1971) 605–612. [44] K.M.S. Saxena, G. Malli, Int. J. Qu. Chem. 5 (1971) 613–618. [45] H. U. Rahman, Il Nuovo Cimento D 15 (1993) 1273-1277. [46] H.M. Crosswhite, H. Crosswhite, W. T. Carnall, K. Rajnak, J. Chem. Phys. 67 (1977) 3002-3010. [47] H.M. Crosswhite, H. Crosswhite, F.W. Kaseta, R. Sarup, J. Chem. Phys. 64 (1976) 1981-1985. [48] D. Garcia, M. Faucher, J. Chem. Phys. 90 (1989) 5280-5283. [49] D. Garcia, M. Faucher, J. Chem. Phys. 91 (1989) 7461-7466. [50] Y.Y. Yeung, D.J. Newman, J. Phys. C: Solid St. Phys. 19 (1986) 3877-3884. [51] Y.Y. Yeung, D.J. Newman, J. Chem. Phys. 86 (1987) 6717-6721. [52] Y.Y. Yeung, C. Rudowicz, Computers & Chem. 16 (1992) 207-216. [53] Y.Y. Yeung, M.F.Reid, D.J. Newman, Accessible program packages, in: D.J. Newman, B. Ng (Eds.), Crystal Field Handbook, Cambridge University Press, Cambridge, 2000, pp. 254-258. [54] B R Judd, R.C. Leavitt, J. Phys. B: At. Mol. Phys. 19 (1986) 485-499.


Explanation of Tables Table 1. Reduced matrix elements of spin-spin operators zr for f 4 to f 7 configurations The first two columns refer to the bra ψ and ket ψ’ state labels in the notation of Nielson and Koster [28]. The next four columns are the reduced matrix elements of zr (with r=1 to 4).

Table 2. Labels and normalisaton factors in f 2 of the intra-atomic magnetic operators zr z

Generic symbol for a two-electron operator as defined by Judd and his co-workers [6-7]

r

Distinguishing subscript

W

Irreducible representation [29-30, 35] of the special orthogonal group SO7

U

Racah’s irreducible representation [29-30, 35] of the exceptional Lie group G2

K

Quasispin rank [29-30, 35] or mixture of ranks

Fr

Normalisation factor in f 2 of the operator zr from Eq. (8)


Table (for inclusion in Manuscript)

Table 1. Reduced matrix elements of spin-spin operators zr for f 4 to f 7 configurations f 4 shell f 4 states 5S 5D 5S 3D1 5S 3D2 5S 1D2 5S 1D3 5S 1D4 5D 5D 5D 5F 5D 5G 5D 3P2 5D 3P3 5D 3D1 5D 3D2 5D 3F2 5D 3F3 5D 3F4 5D 3G1 5D 3G2 5D 3G3 5D 1S2 5D 1D2 5D 1D3 5D 1D4 5D 1F 5D 1G2 5D 1G3 5D 1G4 5F 5F 5F 5G 5F 3P2 5F 3P3 5F 3D1 5F 3D2 5F 3F2 5F 3F3 5F 3F4 5F 3G1 5F 3G2 5F 3G3 5F 3H2 5F 3H3 5F 3H4 5F 1D2 5F 1D3 5F 1D4 5F 1F

z1 13.747727 -13.747727 0 0 0 0 -25.500000 -19.442222 -24.372115 3.354102 15.574017 1.071429 -10.445192 3.162278 8.124038 -7.563068 -10.445192 14.659398 0 0 0 0 0 0 0 0 0 12.859821 -27.921766 11.618950 7.707140 -8.332381 -5.641049 14.641550 5.373546 10.004999 11.966471 -1.119630 14.418738 10.488088 -7.074602 13.099618 0 0 0 0

z2 -256.624239 -109.981817 0 289.827535 0 0 23.500000 -155.537777 89.364422 -107.331263 -31.148034 202.500000 -109.674518 278.280434 -77.178365 15.126136 73.116346 153.923682 0 40.620192 200.465816 92.391691 -41.516993 149.248116 -155.977824 -129.667943 87.525506 -240.049995 -223.374126 92.951600 61.657116 155.537777 335.642388 117.132404 -319.726006 80.039990 -223.374126 66.617987 115.349902 83.904708 420.938847 104.796947 0 -241.809584 0 230.342815

z3 0 0 0.846114 0 0.230283 0 0.333333 0.810093 -0.133349 0.559017 0.235970 0.500000 -0.123091 0.395285 0.523139 0.171888 -0.523139 0.475073 0.556187 0.246183 0.244700 -0.445088 0.041936 -0.326637 0.157553 -0.609550 -0.088410 0 -0.564076 -0.484123 0.496293 0 0 0 0 -0.682159 0 0 0.546164 0.536323 0 -0.372148 0.640434 0 -0.475613 0

z4 0 0 0 0 0 0.473050 0.500000 0 -0.738549 0 -1.213560 -0.214286 -0.052753 0 0.369274 -0.317332 0.316521 -0.563823 0 0.738549 0.112938 -0.043073 -0.909696 0.301511 -0.166821 -0.460360 -0.367240 0 0 0 0 0 -0.598293 0 -0.732756 0 0 0.904317 0 0 -0.222627 0 0 -0.488504 0 -0.598293 1

atomicdata2012yyyeung2tables.doc

f 4 states 5F 1G2 5F 1G3 5F 1G4 5F 1H1 5F 1H2 5G 5G 5G 5I 5G 3D1 5G 3D2 5G 3F2 5G 3F3 5G 3F4 5G 3G1 5G 3G2 5G 3G3 5G 3H2 5G 3H3 5G 3H4 5G 3I1 5G 3I2 5G 1D2 5G 1D3 5G 1D4 5G 1F 5G 1G2 5G 1G3 5G 1G4 5G 1H1 5G 1H2 5G 1I2 5G 1I3 5I 5I 5I 3G1 5I 3G2 5I 3G3 5I 3H2 5I 3H3 5I 3H4 5I 3I1 5I 3I2 5I 3K1 5I 3K2 5I 3L 5I 1G2 5I 1G3 5I 1G4 5I 1H1 5I 1H2 5I 1I2 5I 1I3 5I 1K

z1 0 0 0 0 0 0.959403 29.890710 -10.445192 -1.071429 -4.541476 18.031223 -9.874209 -1.507634 2.115902 17.340179 -10.954451 18.472953 0 0 -17.257409 0 0 0 0 0 0 0 0 0 0 0 -11.414703 0 21.297887 -11.576622 10.665365 12.016655 -11.271646 -17.937391 16.946440 -3 24.738634 21.424285 0 0 0 0 0 0 0 0

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f 4 states 5I 1L1 5I 1L2 3P1 3P1 3P1 3F1 3P2 3P2 3P2 3P3 3P2 3D1 3P2 3D2 3P2 3F2 3P2 3F3 3P2 3F4 3P3 3P3 3P3 3D1 3P3 3D2 3P3 3F2 3P3 3F3 3P3 3F4 3D1 3D1 3D1 3D2 3D1 3F2 3D1 3F3 3D1 3F4 3D1 3G1 3D1 3G2 3D1 3G3 3D2 3D2 3D2 3F2 3D2 3F3 3D2 3F4 3D2 3G1 3D2 3G2 3D2 3G3 3F1 3F1 3F1 3H1 3F2 3F2 3F2 3F3 3F2 3F4 3F2 3G1 3F2 3G2 3F2 3G3 3F2 3H2 3F2 3H3 3F2 3H4 3F3 3F3 3F3 3F4 3F3 3G1 3F3 3G2 3F3 3G3 3F3 3H2 3F3 3H3 3F3 3H4

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z3 -0.927651 0.516664 0 0.577350 0 -0.452267 -0.121988 -0.170177 0.024056 -0.524378 -0.052304 -0.163636 0.154479 -0.105639 0.369915 0.539818 0.280710 -0.249392 -0.007675 0.345033 0.329044 -0.675162 0.099769 0.340628 -0.485479 -0.266396 -0.212353 0 -0.392448 -0.540821 -0.145838 0.104577 0 -0.639602 0 -0.485479 -0.508451 -0.240250 -0.370899 0.407087 -0.026650 -0.479372 -0.277383 -0.056692 0.290274 -0.065462 -0.101061 -0.232406 -0.290459 -0.223915 -0.345508

z4 0.061164 0.476921 1 0 0.166667 0.050252 0 0 0 0 -0.434524 0.669697 -0.264820 -0.065194 0 -0.243935 0.235825 -0.233805 -0.057559 0 0.402911 0.069247 0.345353 -0.615181 0 -0.986232 -0.148647 -0.039676 0.588850 -0.435727 0.343280 0.268913 0 0 0 0.182055 0 0 -0.224679 0 0 0.055312 0 0.680301 0.140062 0.578638 -0.199900 0.494390 0 -0.516726 0.143519 3


f 4 states 3F4 3F4 3F4 3G1 3F4 3G2 3F4 3G3 3F4 3H2 3F4 3H3 3F4 3H4 3G1 3G1 3G1 3G2 3G1 3G3 3G1 3H2 3G1 3H3 3G1 3H4 3G1 3I1 3G1 3I2 3G2 3G2 3G2 3G3 3G2 3H2 3G2 3H3 3G2 3H4 3G2 3I1 3G2 3I2 3G3 3G3 3G3 3H2 3G3 3H3 3G3 3H4 3G3 3I1 3G3 3I2 3H1 3H1 3H2 3H2 3H2 3H3 3H2 3H4 3H2 3I1 3H2 3I2 3H2 3K1 3H2 3K2 3H3 3H3 3H3 3H4 3H3 3I1 3H3 3I2 3H3 3K1 3H3 3K2 3H4 3H4 3H4 3I1 3H4 3I2 3H4 3K1 3H4 3K2 3I1 3I1 3I1 3I2 3I1 3K1 3I1 3K2

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z2 -100.193270 -133.593199 24.820666 15.577762 96.314813 -50.416261 103.967231 -7.417288 202.836955 -234.604115 76.494631 -9.271596 0 225.032725 233.484280 -199.150206 -22.198311 118.092780 -95.742711 -22.337413 160.341511 -33.988233 96.528432 -36.724197 -10.200163 56.661098 156.626017 179.883801 -83.707825 -385.986083 44.123284 -157.337188 74.475947 -137.058382 165.247289 90.489410 221.176720 -93.130540 131.733515 66.454711 -186.796397 15.782403 115.504534 -152.499836 143.300384 12.403473 120.180953 -260.120346 -229.277012 218.326999 -334.701573

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z4 0.894858 -0.090408 -0.026841 -0.326806 0.356575 0.601307 -0.582396 -0.362526 0.197499 -0.045866 0 0.295992 -0.167031 0.114033 -0.263348 -0.438861 -0.373104 0 0.787367 -0.552919 0.081251 0.162623 -0.935560 0.589158 0.161584 0.245286 -0.176659 0.985944 0.752618 0.125436 0 0.113820 0 0.545001 0 0.335008 0.478588 0.163974 -0.383638 -0.088040 -0.963641 -0.595979 0.718525 -0.265826 0.279866 -0.468383 -1.019240 -0.385703 0.005747 -0.377685 -0.226507 4


f 4 states 3I1 3L 3I2 3I2 3I2 3K1 3I2 3K2 3I2 3L 3K1 3K1 3K1 3K2 3K1 3L 3K1 3M 3K2 3K2 3K2 3L 3K2 3M 3L 3L 3L 3M 3M 3M

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z2 161.293101 73.303408 -112.066466 12.467100 76.927378 -41.925234 -95.498749 -375.189666 71.723427 91.579560 -81.831709 -80.568568 -269.583011 -137.305317 310.473358

z1 26.939933 -31.107555 -11.786221 5.584353 4.929503 26.698315 -3.888444 0 23.249516 0 0 0 0 0 0 0 0 0 0 0 11.200000 -28.079886 -15.553778 12.896511 18.590320 -9.439280 -19.600000 8.991663 16.741565 -26.698315 -1.873499 24.127163 -14.039943

z2 47.144883 62.215111 -290.726779 26.060315 -26.290683 -142.391011 331.813924 0 108.497742 -232.427408 64.674183 53.812173 140.529611 -162.269617 59.245253 -138.564065 0 269.260097 -66 35.874782 313.600000 56.159772 -228.122073 -68.781393 -99.148374 -280.031962 104.533333 266.752663 -89.288347 142.391011 -55.580482 -128.678203 -205.919164

z3 0.035418 -0.431323 -0.419961 0.417144 0.981530 -0.373280 -0.209657 0.149956 -0.953262 -0.379058 0.013225 0.120224 0.272306 0.462307 0.339037

z4 0.081734 -0.841081 -0.487653 -0.261548 -0.368074 0.367739 0.180579 0.698396 -0.343174 0.591108 -0.499002 0.256098 0.125680 -0.472468 -0.019560

f 5 shell f 5 states 6P 6P 6P 6F 6P 4P1 6P 4P2 6P 4D2 6P 4D3 6P 4F2 6P 4F3 6P 4F4 6P 2P2 6P 2P3 6P 2P4 6P 2D3 6P 2D4 6P 2D5 6P 2F3 6P 2F4 6P 2F5 6P 2F6 6P 2F7 6F 6F 6F 6H 6F 4P1 6F 4P2 6F 4D2 6F 4D3 6F 4F2 6F 4F3 6F 4F4 6F 4G2 6F 4G3 6F 4G4 6F 4H1

z3 0 0.432049 0 0 1.095445 0.426993 -0.216025 0.588612 0 0 0.814081 0.326134 0.292770 0.163909 -0.059844 -0.288675 0.670786 0.094147 -0.187879 -0.416727 0 -0.478634 -0.324037 -0.553638 -0.387298 0.238366 0 -0.544949 0.760980 -0.269680 -0.416333 -0.609272 0.358976

z4 0.748331 0 0.374166 0.112815 0 0 0 0 -0.975504 -0.316228 -0.030151 -0.025087 0 0 -0.911465 0 0 0.260714 -1.200000 0.652269 0 0 0 0 0 -0.667424 0 -0.817424 0 0 1.008807 0 0 5


f 5 states 6F 4H2 6F 4H3 6F 2P2 6F 2P3 6F 2P4 6F 2D3 6F 2D4 6F 2D5 6F 2F3 6F 2F4 6F 2F5 6F 2F6 6F 2F7 6F 2G3 6F 2G4 6F 2G5 6F 2G6 6F 2H3 6F 2H4 6F 2H5 6F 2H6 6F 2H7 6H 6H 6H 4F2 6H 4F3 6H 4F4 6H 4G2 6H 4G3 6H 4G4 6H 4H1 6H 4H2 6H 4H3 6H 4I2 6H 4I3 6H 4K1 6H 4K2 6H 2F3 6H 2F4 6H 2F5 6H 2F6 6H 2F7 6H 2G3 6H 2G4 6H 2G5 6H 2G6 6H 2H3 6H 2H4 6H 2H5 6H 2H6 6H 2H7 6H 2I2

z1 -11.838074 21.919854 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -35.794972 -3.509986 -28.691462 -19.078784 -16.099689 -24.854778 -7.274613 15.660300 9.286549 31.166569 15.674821 27.149586 34.779304 -17.924843 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

z2 -351.196200 -116.905888 -43.817805 -229.782506 0 -66.246294 -157.770176 0 349.221356 150.288611 -298.291431 0 0 95.138996 -31.314077 -429.883705 0 -39.553059 -197.864151 -390.555160 0 0 -62.641200 299.518784 153.021131 -89.034325 85.865010 132.558817 -33.948196 386.287403 -49.528264 145.443987 -83.599043 126.698066 -185.489622 -83.649268 -125.077754 174.383763 -220.957512 -4.431294 52.990565 -458.967786 151.064792 -84.249629 79.485848 308.825283 -56.442695 360.950020 -75.366604 32.605598 446.855681

z3 -0.538094 0.415149 0.547723 -0.295932 -0.439352 0.828079 0.108657 -0.592422 0 -0.248411 0.406761 -0.366587 -0.547968 0.576600 -0.189782 -0.325669 -0.621338 -0.606780 -0.245286 0.221906 -0.905748 0.391851 0 0.239317 -0.434719 0 -0.589509 0.627646 0 0 -1.055290 0 -0.949989 0 0.043913 0 0.319801 0.544949 0.869151 -0.188740 0.149426 -0.157553 1.015682 0.898466 0.247557 0 -0.192418 -0.574456 -0.456767 -0.417176 -0.253895

z4 -0.248351 0 0 0 0.695239 0 0.608480 -0.624973 0 0.745233 0 -0.628435 0.144519 0 -0.919714 0 0.491608 0 0.226418 0 0.318505 0.964555 0.563208 0 0 0.800508 0 0 -1.322657 0.281604 0 0.255525 0 1.223524 0 0.752091 0 0 -0.213945 -1.083205 -0.881117 0 0 0.353495 0.852296 -0.237999 0 -0.068292 0.909631 0.687411 0 6


f 5 states 6H 2I3 6H 2I4 6H 2I5 6H 2K2 6H 2K3 6H 2K4 6H 2K5 4S 4D1 4S 2D1 4S 2D2 4P1 4P1 4P1 4P2 4P1 4D2 4P1 4D3 4P1 4F2 4P1 4F3 4P1 4F4 4P1 2P2 4P1 2P3 4P1 2P4 4P1 2D3 4P1 2D4 4P1 2D5 4P1 2F3 4P1 2F4 4P1 2F5 4P1 2F6 4P1 2F7 4P2 4P2 4P2 4D2 4P2 4D3 4P2 4F2 4P2 4F3 4P2 4F4 4P2 2P2 4P2 2P3 4P2 2P4 4P2 2D3 4P2 2D4 4P2 2D5 4P2 2F3 4P2 2F4 4P2 2F5 4P2 2F6 4P2 2F7 4D1 4D1 4D1 4F1 4D1 4G1 4D1 2P1 4D1 2D1 4D1 2D2

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z4 -0.327001 -0.230459 0.706061 0 -0.201005 0.201974 -1.377782 0 0 0 -0.789280 0.008206 0 0 0 0 -0.070957 0.473365 -0.077958 0.003414 0 0 0.124035 0 0 0.674096 0.163299 -0.088763 -0.546805 -0.432450 -0.106462 0 -0.398344 -0.192550 -0.012975 0.273403 0.075142 0.432450 -0.022698 -0.003400 0 -0.084927 0.096275 -0.568459 -0.903763 0.534522 0 -0.789542 0 -0.202031 0.105507 7


f 5 states 4D1 2F2 4D1 2G1 4D1 2G2 4D2 4D2 4D2 4D3 4D2 4F2 4D2 4F3 4D2 4F4 4D2 4G2 4D2 4G3 4D2 4G4 4D2 2P2 4D2 2P3 4D2 2P4 4D2 2D3 4D2 2D4 4D2 2D5 4D2 2F3 4D2 2F4 4D2 2F5 4D2 2F6 4D2 2F7 4D2 2G3 4D2 2G4 4D2 2G5 4D2 2G6 4D3 4D3 4D3 4F2 4D3 4F3 4D3 4F4 4D3 4G2 4D3 4G3 4D3 4G4 4D3 2P2 4D3 2P3 4D3 2P4 4D3 2D3 4D3 2D4 4D3 2D5 4D3 2F3 4D3 2F4 4D3 2F5 4D3 2F6 4D3 2F7 4D3 2G3 4D3 2G4 4D3 2G5 4D3 2G6 4F1 4F1 4F1 4G1 4F1 2P1

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z2 24.372115 200.239041 83.069924 228.699263 -171.217830 73.922825 40.529824 123.973986 -40.943394 240.297192 0 -60.474316 -22.199099 137.211411 -13.821224 -161.489477 0 36.059915 -49.685679 10.780347 -149.898251 -224.065297 -11.166380 226.643849 0 0 100.032065 154.715345 145.924638 15.426014 42.303637 -93.129532 62.795966 16.376522 -63.872660 59.641249 34.429672 -117.477074 -43.937456 234.018403 57.436131 66.369181 -63.894485 57.208055 -134.909657 -130.693002 126.195739 101.210640 -256.624239 -238.796985 235.151015

z3 0.061546 0.389602 -0.135735 -0.152721 0.269447 0.535264 0.307044 0.122504 0.061096 0.483690 0.396392 0.314970 -0.084087 -0.259870 -0.381802 -0.209078 0.819443 -0.352148 0.114559 0.283290 -0.492386 -0.039784 0.152739 -0.005156 -0.123873 0.303858 0.217511 0.277417 0 -0.233727 -0.457391 0.119076 -0.341548 -0.338593 -0.246686 -0.194592 -0.269447 0.046374 0.161386 -0.086693 0.580163 0.043353 -0.086818 0.127325 0.457391 0.025387 0.170774 -0.498697 0 -0.603023 0.204124

z4 -0.738549 0.298419 1.127646 -0.229081 0.075194 0 -0.526361 0.113081 0.338375 0.803670 0 0 -0.864900 0 -0.229081 -0.044087 0 0 0.308607 -0.226161 0 0 0.338375 -0.471193 0 0 -0.402627 0.194192 -0.016198 0.961589 0.569232 0.140144 0.439133 0 0.066539 -0.645907 0.009399 0.686723 -0.009311 0.121370 0.027627 0.600993 0.573324 0.026369 0.071154 -0.239030 0.274458 0.431565 0 0 0 8


f 5 states 4F1 2D1 4F1 2D2 4F1 2F2 4F1 2G1 4F1 2G2 4F1 2H1 4F1 2H2 4F2 4F2 4F2 4F3 4F2 4F4 4F2 4G2 4F2 4G3 4F2 4G4 4F2 4H1 4F2 4H2 4F2 4H3 4F2 2P2 4F2 2P3 4F2 2P4 4F2 2D3 4F2 2D4 4F2 2D5 4F2 2F3 4F2 2F4 4F2 2F5 4F2 2F6 4F2 2F7 4F2 2G3 4F2 2G4 4F2 2G5 4F2 2G6 4F2 2H3 4F2 2H4 4F2 2H5 4F2 2H6 4F2 2H7 4F3 4F3 4F3 4F4 4F3 4G2 4F3 4G3 4F3 4G4 4F3 4H1 4F3 4H2 4F3 4H3 4F3 2P2 4F3 2P3 4F3 2P4 4F3 2D3 4F3 2D4 4F3 2D5 4F3 2F3

z1 5.237229 5.641049 -5.373546 -7.521398 1.119630 -6.633250 7.074602 -14.867912 -10.464756 4.871079 8.415405 2.180432 7.019972 1.021256 13.777491 6.377739 4.472136 0 0 4.507489 -8.051176 0 0 7.669384 0 0 0 -6.473389 -1.597990 0 0 4.036867 -10.097213 0 0 0 -9.165151 -5.688194 -3.023716 11.670068 -2.732520 -12.521981 0 3.723797 0 -7.120393 5.924525 5.066228 -3.190896 6.657190 1.635118

z2 251.387010 73.333631 -69.856102 -361.027106 14.555191 212.263987 91.969832 -36.117485 147.378642 -188.348375 106.163575 -30.707757 -271.438898 14.978415 -194.032999 -246.605910 -119.256959 125.077754 0 252.419404 -18.786076 0 -190.092029 17.895228 162.369289 0 0 -362.509770 -3.728643 233.999050 0 -107.649790 -23.560163 212.591302 0 0 -17.311953 -5.214178 -216.951608 81.690473 -4.781910 205.917016 77.091416 -1.241266 0 -114.474015 -80.968512 -187.450438 -57.436131 -99.857854 222.921097

z3 -0.163663 0.284901 -0.651339 -0.113961 -0.497613 -0.226134 -0.643146 0 0.634228 -0.332119 -0.372710 0.484541 0.265908 -0.330748 0.626250 -0.181186 0.012423 -0.543662 -0.209259 -0.098601 0.051752 -0.282165 0 -0.118316 0.747268 -0.174602 -0.260992 -0.068657 -0.090391 -0.598293 -0.295937 -0.013762 -0.116827 0.407668 -0.431398 0.186634 0.046289 0.280100 0.213798 0.082516 0.169057 0.521749 0.182825 -0.606528 0.541575 -0.305212 0.109713 0.307044 0.580163 0.195009 -0.198196

z4 0 -0.398862 -0.488504 0 0.602878 0 -0.148418 0 -0.237835 0 0 0.293520 0 0 -0.072260 0 0 0 -0.378440 0 0.238060 0.340192 0 0.291563 0 0.342077 -0.078666 0 -0.359827 0 -0.267597 0 0.088583 0 -0.173372 -0.525037 0.277732 0.228721 -0.755929 -0.081609 0.807336 0 -0.210952 0.234365 0 -0.248965 -0.345252 0.065795 -0.027627 -0.152076 -0.148647 9


f 5 states 4F3 2F4 4F3 2F5 4F3 2F6 4F3 2F7 4F3 2G3 4F3 2G4 4F3 2G5 4F3 2G6 4F3 2H3 4F3 2H4 4F3 2H5 4F3 2H6 4F3 2H7 4F4 4F4 4F4 4G2 4F4 4G3 4F4 4G4 4F4 4H1 4F4 4H2 4F4 4H3 4F4 2P2 4F4 2P3 4F4 2P4 4F4 2D3 4F4 2D4 4F4 2D5 4F4 2F3 4F4 2F4 4F4 2F5 4F4 2F6 4F4 2F7 4F4 2G3 4F4 2G4 4F4 2G5 4F4 2G6 4F4 2H3 4F4 2H4 4F4 2H5 4F4 2H6 4F4 2H7 4G1 4G1 4G1 4I1 4G1 2D1 4G1 2D2 4G1 2F2 4G1 2G1 4G1 2G2 4G1 2H1 4G1 2H2 4G1 2I1 4G2 4G2

z1 -6.513389 4.088390 1.338814 -0.307883 3.307189 6.966587 2.134781 -5.236590 -3.299832 -1.715055 -2.327373 -6.785401 0.587109 11.812862 -7.037316 -5.014265 0 5.551109 -2.880329 -13.333333 -2.673948 -0.764853 7.000357 1.347543 -4.774119 -2.288310 0 -3.335000 5.499091 -6.327717 7.408104 1.759329 -4.008919 4.769696 -4.500000 2.194269 3.838052 -9 -2.915476 -8.829187 -0.683763 -21.303009 -1.641304 -6.642857 3.181981 -1.292191 13.118592 -6.928203 -3.694591 -7.045308 -1.074485

z2 -199.743944 -34.543931 -11.431416 45.258735 -122.365998 195.064434 -23.482596 127.423690 17.599102 -76.605796 8.533702 61.068609 36.987867 -87.102883 -161.858257 -12.953519 -63.595947 -43.483690 40.564636 135.555556 -297.699588 49.120555 96.307944 -70.072253 185.129708 -109.838890 162.369289 139.564680 32.960600 -10.354446 109.534104 -91.485102 155.456956 -120.832299 -6 244.295241 -96.974769 33.555556 -52.478567 -158.925368 8.205162 -37.280265 200.239041 7.928571 83.792154 31.012595 -15.657674 -332.553755 99.753947 14.090616 -41.807251

z3 0.009869 -0.123891 0.460835 -0.500698 -0.213798 0.334255 0.280325 0.229211 -0.224989 -0.233871 0.282106 -0.205618 0.373615 -0.055546 -0.159939 0.196265 -0.385430 -0.788510 -0.360041 0.196970 -0.027010 0.265252 -0.159278 -0.153130 0.435618 0.221512 -0.415149 0.211309 -0.003472 -0.487120 -0.201995 -0.199924 -1.023152 -0.277028 0.099747 -0.249349 0.090718 0.522727 0.228232 -0.022296 -0.704484 0.094142 -0.524305 -0.158009 0.342840 -0.332837 0.102589 -0.380526 -0.335872 -0.836186 0.301922

z4 -0.473701 0.142951 0.296474 0.706910 -0.094491 0.139193 0.504585 0.187980 0 0.359802 0.146478 -0.534607 -0.288765 -0.730648 -0.147636 -0.043831 0.266836 0.058228 0.981930 0.475524 0.112194 0.096275 0.467778 0.113081 -0.205011 0.056897 0 0.048764 0.365324 -0.208287 0.131157 0.147636 -0.009345 -0.133418 -1.160839 -0.092067 0.209348 -0.237762 -0.004531 -0.013721 0.828804 -0.260701 0.298419 0.798701 1.060660 -0.313259 -0.362021 0 -0.542562 0.098536 -0.355202 10


f 5 states 4G2 4G3 4G2 4G4 4G2 4H1 4G2 4H2 4G2 4H3 4G2 4I2 4G2 4I3 4G2 2D3 4G2 2D4 4G2 2D5 4G2 2F3 4G2 2F4 4G2 2F5 4G2 2F6 4G2 2F7 4G2 2G3 4G2 2G4 4G2 2G5 4G2 2G6 4G2 2H3 4G2 2H4 4G2 2H5 4G2 2H6 4G2 2H7 4G2 2I2 4G2 2I3 4G2 2I4 4G2 2I5 4G3 4G3 4G3 4G4 4G3 4H1 4G3 4H2 4G3 4H3 4G3 4I2 4G3 4I3 4G3 2D3 4G3 2D4 4G3 2D5 4G3 2F3 4G3 2F4 4G3 2F5 4G3 2F6 4G3 2F7 4G3 2G3 4G3 2G4 4G3 2G5 4G3 2G6 4G3 2H3 4G3 2H4 4G3 2H5 4G3 2H6

z1 -13.270366 -12.358288 -20.298722 10.532489 0 0 12.299298 5.583190 -0.350022 5.325752 -6.473389 -6.486875 1.759329 -3.873319 0.609449 -0.390722 0.691238 -3.089572 -2.526226 6.172134 -7.438332 0 7.107340 3.074824 -7.988628 3.074824 7.456053 -3.105420 8.094457 -7.631514 10.847515 7.504665 4.052982 0 -11.684748 1.305963 -5.026654 -1.581139 0.340693 -6.966587 -4.230786 -6.530405 -1.972210 -7.200682 0.946868 3.100302 -7.125000 2.858571 2.400000 -3.546360 -5.275166

z2 -83.542988 -284.240615 212.355856 281.744092 0 -239.658848 282.883850 -11.166380 96.711829 -170.424070 -51.787110 130.019535 14.074631 123.946197 -19.502381 0.781444 -190.990560 -24.716575 80.839234 197.508288 245.745659 0 -227.434889 -98.394383 15.977257 24.598596 -238.593698 99.373455 231.300898 24.802419 -178.381350 146.028277 12.158947 227.683992 37.975431 -48.320631 -130.693002 11.067972 46.447754 -195.064434 55.731470 107.082907 -19.848758 266.425225 -38.241266 49.843323 81.375000 -15.245712 32.533333 50.155658 43.256365

z3 -0.365575 0.205971 0.042880 0.199479 0.280100 -0.040347 0.170824 0.152739 -0.223563 -0.181560 -0.245204 0.227910 -0.119954 -0.018533 0.844918 0.754804 0.003897 -0.285551 0.287071 -0.169500 -0.225404 0.360899 0.100957 -0.323206 -0.100867 -0.236824 0.593095 0.635200 0.066206 -0.838310 -0.205445 0.274792 0.086996 -0.587736 -0.472111 -0.483690 0.025387 0.535032 0.151419 0.299071 0.501743 -0.290081 -0.136159 0.365575 0.014115 0.224031 0.488636 -0.628019 -0.153535 0.347983 -0.245109

z4 -0.258011 -0.074899 0 -0.386682 -0.272761 0.111729 -0.430045 0.338375 -0.333742 0 0 -0.443203 -0.295272 0 0 -0.355202 0.151273 0.149797 0 0 0.226713 0.545521 0 0 0.111729 0.860091 0 0 -0.179164 -0.609276 0 0.321441 -0.902912 -0.106146 0.265562 0.100459 -0.239030 -0.099512 -0.183450 -0.139193 0.027394 -0.219533 -0.523451 -0.032251 0.305584 -0.380797 0.339685 0 -0.548252 -0.564320 0.278883 11


f 5 states 4G3 2H7 4G3 2I2 4G3 2I3 4G3 2I4 4G3 2I5 4G4 4G4 4G4 4H1 4G4 4H2 4G4 4H3 4G4 4I2 4G4 4I3 4G4 2D3 4G4 2D4 4G4 2D5 4G4 2F3 4G4 2F4 4G4 2F5 4G4 2F6 4G4 2F7 4G4 2G3 4G4 2G4 4G4 2G5 4G4 2G6 4G4 2H3 4G4 2H4 4G4 2H5 4G4 2H6 4G4 2H7 4G4 2I2 4G4 2I3 4G4 2I4 4G4 2I5 4H1 4H1 4H1 4H2 4H1 4H3 4H1 4I2 4H1 4I3 4H1 4K1 4H1 4K2 4H1 2F3 4H1 2F4 4H1 2F5 4H1 2F6 4H1 2F7 4H1 2G3 4H1 2G4 4H1 2G5 4H1 2G6 4H1 2H3 4H1 2H4 4H1 2H5

z1 9.219996 -5.692100 4.746929 -0.885438 0.368782 -10.849047 -2.116601 12.237647 -4.406056 8.250620 -20.641823 0 -1.029857 6.875517 0 1.893370 -4.769696 0.092113 7.159842 3.089572 -0.406761 -3.669531 -3.261344 -0.836660 5.000727 3.855299 -8.028595 -5.259695 -2.062655 -8.137642 1.993900 5.612713 1.952776 4.052982 -9.068137 -19.763041 -7.899367 15.178933 5.215362 -6.382847 4.449492 -3.469443 0.301511 -3.605551 1.951800 3.854496 -1.322876 -5.408327 -9.005528 -1.440165 5.667586

z2 -176.823099 210.607692 76.316010 59.324329 -24.708379 61.584296 16.580042 -5.778889 -46.263593 189.764256 132.584016 0 161.687596 55.004132 -233.999050 -75.880428 120.832299 80.875422 90.324157 -160.657739 63.861484 -65.253826 -94.578971 -93.148150 -234.309436 -161.922574 -112.400326 -45.054748 107.258058 -94.872993 -23.239246 -3.207264 126.821940 -66.649045 71.033741 206.751810 61.878375 -249.609117 -40.853668 -34.041853 189.844996 2.312962 15.075567 -180.277564 156.144012 164.458515 0.881917 -270.416346 66.040540 -61.447023 -3.778390

z3 -0.454591 0.587736 -0.336564 0.078258 -0.381820 0.048347 0.815105 -0.381139 -0.194712 -0.152789 -0.268648 0.495490 0.254864 0.017362 -0.332385 -0.307470 -0.228849 -0.056291 -0.307367 0.257464 -0.456065 0.003022 -0.382961 0.257759 -0.493045 0.097356 0.283839 -0.499706 -0.190987 0.504217 -0.374681 0.275371 0 0.460566 0.521157 -0.069102 -0.797916 0.562183 0.526804 -0.369915 -0.444949 -0.019713 -0.166948 0.132173 -0.246563 -0.011680 -0.020378 0.218974 0 -0.530242 0.013029

z4 0.040217 -0.013268 0.165977 0.910205 -0.379097 0.763881 0.096209 0.263865 -0.200275 -0.288483 -0.805020 0 0.093623 -1.153933 0 -0.172125 0.133418 0.452192 0.138652 0.074899 -0.129898 -0.381941 0.664432 -0.152120 0.056256 0.100138 -0.067373 -0.803632 0.288483 0.402510 0.268289 -0.201856 -0.594026 0 0.018587 0 0.088998 0 0.054707 0 0 -0.553170 0.147406 0.119905 0 0 0.913987 -0.115983 0.356263 0 -0.176574 12


f 5 states 4H1 2H6 4H1 2H7 4H1 2I2 4H1 2I3 4H1 2I4 4H1 2I5 4H1 2K2 4H1 2K3 4H1 2K4 4H1 2K5 4H2 4H2 4H2 4H3 4H2 4I2 4H2 4I3 4H2 4K1 4H2 4K2 4H2 2F3 4H2 2F4 4H2 2F5 4H2 2F6 4H2 2F7 4H2 2G3 4H2 2G4 4H2 2G5 4H2 2G6 4H2 2H3 4H2 2H4 4H2 2H5 4H2 2H6 4H2 2H7 4H2 2I2 4H2 2I3 4H2 2I4 4H2 2I5 4H2 2K2 4H2 2K3 4H2 2K4 4H2 2K5 4H3 4H3 4H3 4I2 4H3 4I3 4H3 4K1 4H3 4K2 4H3 2F3 4H3 2F4 4H3 2F5 4H3 2F6 4H3 2F7 4H3 2G3 4H3 2G4 4H3 2G5

z1 5.128048 -2.218530 -1.900292 4.937104 -6.270965 -3.324154 -5.393599 -3.259601 8.039398 -0.807573 -11.716655 -20.118894 -15.776213 7.026481 0 -15.463534 -2.152733 -1.715055 -1.170134 6.914938 -5.518945 -0.329140 -2.400000 7.521054 7.015608 1.068055 -2.519350 6.246592 -3.547751 -0.745499 -4.676520 -0.292770 1.250828 -4.041004 -3.198401 9.664709 4.767359 -0.478890 -13.369004 -8.033264 -16.443844 -12.152872 -12.526894 0 1.587833 -9 -3.640346 -1.501111 0 -3.456395 -3.855299

z2 256.402394 -110.926496 -152.023390 -3.291403 -313.548242 -166.207701 -230.126886 2.173067 401.969890 -40.378643 -283.169182 91.075856 -254.673149 -56.992564 143.767551 5.154511 -293.489262 -76.605796 113.202938 -56.539785 107.853274 12.178191 -32.533333 -22.903096 -110.846600 -5.696291 4.042346 209.112111 74.502775 -33.810587 173.031248 -149.215121 32.825791 63.769016 -142.861920 -35.437265 -49.262705 -68.481307 89.952865 -184.765076 105.620074 4.050957 35.492867 212.591302 -73.304935 33.555556 17.323027 -82.445618 0 132.207110 161.922574

z3 -0.404028 -0.369008 -0.397334 -0.019948 -0.239552 0.567457 -0.374555 0.013170 0.516109 0.137858 -0.081935 0.260582 0.583925 -0.544138 -0.023677 -0.966471 -0.195703 0.311828 0.057279 -0.571794 -0.177949 0.199479 -0.270707 0.288429 0.075589 -0.801041 -0.017469 0.175770 -0.376277 -0.042746 -0.583925 -0.295727 -0.068295 -0.398227 0.270572 -0.095183 -0.035448 -0.744336 0.227596 0.320888 0.344976 0.404073 -0.168712 -0.226482 -0.138334 -0.498106 0.099219 -0.067868 -0.350126 -0.264030 0.121695

z4 -0.123785 -0.093545 0 -0.845484 0.031361 -0.096083 0 -0.519713 -0.027485 0.187492 0.195383 0.267768 0.501182 -0.143769 -0.393405 -0.973229 -0.045162 0.359802 0.613707 -0.724079 0.306499 0.048335 0.548252 -0.164916 0.030744 0 -0.333246 0.167355 -0.502254 0.864826 0.062648 -0.089856 -0.312609 -0.509807 0.670993 -0.608268 0.425988 0.539170 -0.586673 -0.434092 -0.228510 -0.764866 0.832206 0 0.049967 -0.237762 -1.039932 0.775722 -0.272761 0.192502 -0.100138 13


f 5 states 4H3 2G6 4H3 2H3 4H3 2H4 4H3 2H5 4H3 2H6 4H3 2H7 4H3 2I2 4H3 2I3 4H3 2I4 4H3 2I5 4H3 2K2 4H3 2K3 4H3 2K4 4H3 2K5 4I1 4I1 4I1 2G1 4I1 2G2 4I1 2H1 4I1 2H2 4I1 2I1 4I1 2K1 4I1 2L1 4I2 4I2 4I2 4I3 4I2 4K1 4I2 4K2 4I2 4L 4I2 2G3 4I2 2G4 4I2 2G5 4I2 2G6 4I2 2H3 4I2 2H4 4I2 2H5 4I2 2H6 4I2 2H7 4I2 2I2 4I2 2I3 4I2 2I4 4I2 2I5 4I2 2K2 4I2 2K3 4I2 2K4 4I2 2K5 4I2 2L2 4I2 2L3 4I3 4I3 4I3 4K1 4I3 4K2 4I3 4L 4I3 2G3

z1 7.794229 -3.584496 2.213865 -5.576677 6.295444 -3.102509 2.008316 -6.482669 -8.270611 2.874369 -5.182002 -1.565862 -6.436670 -11.250418 8.135221 -7.045308 7.099296 6.745369 -10.751744 -9.993179 15 7.141428 -12.783918 -12.077671 -17.104719 -17.631141 0 -7.988628 -7.281359 2.062655 4.540725 -6.009252 -5.790025 2.008316 4.790616 -4.441174 1.452718 -3.019418 0.348652 -8.131900 2.849014 -4.407785 -3.623750 2.457085 -7.324572 9.518813 -8.135221 -18.516402 0 26.446712 -3.074824

z2 95.262794 -399.073881 68.675926 -53.688817 123.171726 8.099679 -104.432434 -75.578436 -108.339522 160.325943 239.235768 -143.015375 -21.455565 -132.677344 126.095923 14.090616 92.290845 323.777702 81.586764 358.217049 -45 92.838570 -314.368177 -277.786426 -168.909105 -405.516249 229.035244 15.977257 99.511900 16.501240 -145.303194 -192.296068 294.954913 16.066528 -153.299706 142.117566 -2.905436 -24.155341 -11.156874 260.220789 -272.935581 -35.262283 115.960000 -78.626722 100.102480 -304.602001 42.419366 103.383244 -50.896721 -85.951814 159.890872

z3 -0.088571 0.164804 0.747389 0.014225 0.107827 -0.394004 0.401110 0.373724 -0.050899 -0.272597 -0.640117 -0.010545 -0.494128 -0.115600 0.246522 0.925141 0.519898 -0.613215 -0.028748 0.116471 -0.272727 -0.649221 -0.105652 0.223661 -0.275360 -0.400708 0.578372 -0.100867 0.289429 0.375896 0.556124 -0.273148 -0.147426 0.492397 -0.048390 0.589166 -0.264131 0.330408 -0.829370 0.477441 -0.276268 0.300531 -0.796127 0.539814 -0.394590 0.072112 -0.704348 0.228338 0.681193 -0.450796 0.213529

z4 -0.341565 -0.029388 0.057088 0.293337 0.826632 0.269515 0.434092 0.114255 0.392471 0.323097 -0.163070 -0.416103 -0.054014 -0.493749 0.881790 0.098536 -0.148936 0 -0.703220 -0.333285 0.692308 -0.149820 -0.377910 0.009384 0.493405 -0.369884 -0.106776 0.111729 0.062234 0.576966 0 0 0.293844 -0.868185 0 0 -0.377910 -0.018769 0 0 -0.289285 0.739768 0 0 0.062603 0 0.686739 -0.796335 0.213553 -0.601062 0.430045 14


f 5 states 4I3 2G4 4I3 2G5 4I3 2G6 4I3 2H3 4I3 2H4 4I3 2H5 4I3 2H6 4I3 2H7 4I3 2I2 4I3 2I3 4I3 2I4 4I3 2I5 4I3 2K2 4I3 2K3 4I3 2K4 4I3 2K5 4I3 2L2 4I3 2L3 4K1 4K1 4K1 4K2 4K1 4L 4K1 4M 4K1 2H3 4K1 2H4 4K1 2H5 4K1 2H6 4K1 2H7 4K1 2I2 4K1 2I3 4K1 2I4 4K1 2I5 4K1 2K2 4K1 2K3 4K1 2K4 4K1 2K5 4K1 2L2 4K1 2L3 4K1 2M1 4K1 2M2 4K2 4K2 4K2 4L 4K2 4M 4K2 2H3 4K2 2H4 4K2 2H5 4K2 2H6 4K2 2H7 4K2 2I2 4K2 2I3 4K2 2I4 4K2 2I5

z1 -0.622799 -8.137642 3.932383 3.122499 3.994802 6.482669 -0.460977 -1.054135 3.019418 -2.469621 -9.007929 4.694954 4.539867 3.817254 9.414779 -6.383694 1.409614 8.243533 -13.763305 -9.243947 15.427249 24.657656 4 -3.198401 7.595545 5.905235 5.510986 7.750576 -4.281918 -5.679301 -3.895969 -8.125883 -0.064194 -4.239636 -7.367627 1.879486 3.434806 -10.017173 -13.675937 -8.718836 -2.138090 11.960720 2.061553 -6.593673 -1.565862 -7.071634 -6.226081 -4.407785 -3.817254 -11.019463 -7.559289

z2 97.779467 -94.872993 -25.342024 347.638222 -73.737384 75.578436 74.678310 109.231213 -157.009719 -56.074915 -119.870882 -21.127295 -12.698468 -96.703770 96.239960 -174.014778 -221.309474 65.948268 -100.401547 80.970125 437.472693 -80.137382 -21.333333 -142.861920 -27.850333 -85.625901 -28.175370 -286.771313 -251.630188 111.113861 -0.779194 -226.019923 214.429605 143.672627 115.110717 -69.540981 -101.899233 -161.045316 186.904471 -7.680879 63.073653 -173.430440 229.519546 304.407903 -143.015375 -107.596260 41.043232 229.204837 96.703770 -167.495842 -24.189726

z3 -0.369590 -0.537798 0.067305 0.252323 0.914214 0.330602 0.041907 0.375552 0.279576 -0.044022 -0.094547 -0.240083 0.292423 -0.311678 0.668333 0.041197 0.512587 0.020817 0.304782 -0.400727 -0.122438 0.451434 0.217172 -0.280668 -0.132986 0.383989 -0.850804 -0.275360 -0.371536 -0.364515 0.099957 0.064980 -0.543704 -0.158060 0.485440 0.571914 -0.293751 0.369709 -0.253258 -0.619000 -0.747792 0.196325 0.166590 0.006244 -0.010545 0.446668 0.039140 0.500885 -0.396827 0.391247 -0.143932

z4 0.056618 0.402510 0.213883 0.140719 0.030652 -0.114255 0.676960 -0.182895 -0.009384 -0.343370 0.698900 0.114911 -0.169779 -0.106776 0.673007 0 -0.128147 -1.383530 0.150129 0.294884 0.285119 -0.560401 0 0.670993 -0.478041 0.722669 0.264409 -0.061676 0.497709 -0.148489 0.221226 -0.256060 0.184302 0.322353 -0.737850 -0.486301 0.414739 -0.350251 0.796966 -0.482638 -0.814866 -0.209103 -0.086499 -0.207493 -0.416103 -0.411891 0.207041 -0.369884 0.106776 0.209601 -0.236822 15


f 5 states 4K2 2K2 4K2 2K3 4K2 2K4 4K2 2K5 4K2 2L2 4K2 2L3 4K2 2M1 4K2 2M2 4L 4L 4L 4M 4L 2I2 4L 2I3 4L 2I4 4L 2I5 4L 2K2 4L 2K3 4L 2K4 4L 2K5 4L 2L2 4L 2L3 4L 2M1 4L 2M2 4L 2N 4M 4M 4M 2K2 4M 2K3 4M 2K4 4M 2K5 4M 2L2 4M 2L3 4M 2M1 4M 2M2 4M 2N 4M 2O

z1 6.021938 1.338964 -1.595727 6.360751 7.065556 -9.996753 11.960720 0 -14.674240 -14.236104 -5.725881 -10.743977 4.485274 8.314102 -1.879486 3.340766 -1.428194 8.583057 -12.514234 -6.981388 0.444878 -11.054128 -9.612492 -31.973028 1.314257 11.960720 2.199533 -11.019745 -8.346656 -12.845233 -2.854735 4.921890 10.143964 -11.747340

z2 -120.256275 -161.070114 -40.669708 227.282082 -199.886851 -64.423518 -128.577740 -88.450717 66.034082 117.447861 211.857600 -172.730087 -102.016115 -80.456936 69.540981 -183.742104 89.097319 -102.293154 -412.969733 140.349964 308.300635 235.295014 67.287443 75.364994 -206.338425 -128.577740 81.641483 6.296997 157.068891 -219.536702 -393.953379 111.755853 298.522361 23.494680

z3 -1.317195 -0.038687 0.493121 0.318932 -0.154250 0.591278 -0.998614 0.011168 -0.222337 0.674058 -0.578372 -0.187832 0.452576 -0.364027 0.624122 -0.088412 -1.047009 -0.385165 -0.047402 -0.143470 -0.519025 0.677923 -0.849589 0.553646 -0.172579 1.023155 -0.128894 0.433316 0.114968 0.250653 0.034603 0.742816 -0.014638 -0.355980

z4 0.062869 0.241319 0.854006 0.584211 -0.173730 -0.127387 0.104552 1.360780 0.051309 -0.771537 -0.013347 -0.375664 -1.001696 0.118570 0.486301 0.509292 -0.458651 0.103315 -0.087512 0.370927 -0.482211 -0.180370 -0.604982 0.015971 -0.119478 0.104552 -1.354463 0.396315 0.164492 -0.577069 -0.007985 -0.654632 0.304015 0.164298

f 6 shell f 6 states 7F 7F 7F 5P 7F 5D2 7F 5D3 7F 5F2 7F 5G2 7F 5G3 7F 5H1 7F 5H2 7F 3P4 7F 3P5 7F 3P6 7F 3D3 7F 3D4

z1 -42 -24.592682 26.290683 -37.757119 35.966651 -37.757119 -7.493998 -22.199099 -47.352297 0 0 0 0 0

z2 0 295.112182 210.325462 28.317839 -26.974988 -302.056948 5.620498 266.389189 35.514223 -245.926818 257.930223 0 371.806401 110.685365

z3 0 -0.341565 0.821584 0.238366 -0.544949 0.572078 -0.416333 0.378394 -0.538094 -0.512348 -0.830457 0.410976 -0.580948 0.457378

z4 0 0 0 0.667424 0.817424 0 -1.008807 0 0.248351 0 0 1.300672 0 -0.426886 16


f 6 states 7F 3D5 7F 3F5 7F 3F6 7F 3F7 7F 3F8 7F 3F9 7F 3G4 7F 3G5 7F 3G6 7F 3G7 7F 3H5 7F 3H6 7F 3H7 7F 3H8 7F 3H9 5S 5D1 5S 3D1 5S 3D2 5S 1D2 5S 1D3 5S 1D4 5P 5P 5P 5D2 5P 5D3 5P 5F2 5P 3P4 5P 3P5 5P 3P6 5P 3D3 5P 3D4 5P 3D5 5P 3F5 5P 3F6 5P 3F7 5P 3F8 5P 3F9 5P 1P 5P 1D5 5P 1D6 5P 1F2 5P 1F3 5P 1F4 5D1 5D1 5D1 5F1 5D1 5G1 5D1 3P2 5D1 3P3 5D1 3D1 5D1 3D2 5D1 3F2 5D1 3F3

z1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13.747727 -13.747727 0 0 0 0 6.873864 -9 -17.233688 0 -12.859821 1.926785 -6.947122 0 13.747727 -7.648529 10.733126 0 8.021845 8.520563 -4.631414 0 0 0 0 0 0 -25.500000 -19.442222 -24.372115 3.354102 15.574017 1.071429 -10.445192 3.162278 8.124038

z2 0 -392 -105.436592 334.831301 0 0 -533.966291 21.968728 482.543262 0 -221.990991 138.813724 438.397080 0 0 -256.624239 -109.981817 0 289.827535 0 0 -48.117045 -72 -137.869504 0 -38.579463 63.583901 187.572286 136.067210 -47.135064 206.510290 -128.797516 0 264.720891 -230.055211 125.048191 -38.535698 0 0 169.705627 -160.436903 0 23.500000 -155.537777 89.364422 -107.331263 -31.148034 202.500000 -109.674518 278.280434 -77.178365

z3 0.554160 0 -1.045652 1.141470 0.342911 0.512577 -0.404520 -0.798863 -0.913908 0.581208 0.567591 -1.032499 0.622723 0.847249 -0.366543 0 0 0.846114 0 0.230283 0 0 -0.500000 -0.246610 -0.759895 0 0.262743 0.105259 0.283473 -0.292610 -0.019314 -0.503115 -0.259794 0.030386 -0.060638 -0.134498 0.175162 -0.746203 0.634150 -0.058926 0.020257 0.709001 0.333333 0.810093 -0.133349 0.559017 0.235970 0.500000 -0.123091 0.395285 0.523139

z4 -1.169217 0 -0.522826 0 -1.175695 0.270371 0 0.645235 0 0.919714 0 -0.158846 0 0.595868 1.804517 0 0 0 0 0 0.473050 -0.763763 0 0 0 -0.612372 -0.058387 0.016194 0 0 0.588348 0 0 0.504871 0.774597 -0.421038 -0.077850 0 0 0 0.673162 0 0.500000 0 -0.738549 0 -1.213560 -0.214286 -0.052753 0 0.369274 17


f 6 states 5D1 3F4 5D1 3G1 5D1 3G2 5D1 3G3 5D1 1S2 5D1 1D2 5D1 1D3 5D1 1D4 5D1 1F1 5D1 1G2 5D1 1G3 5D1 1G4 5D2 5D2 5D2 5D3 5D2 5F2 5D2 5G2 5D2 5G3 5D2 3P4 5D2 3P5 5D2 3P6 5D2 3D3 5D2 3D4 5D2 3D5 5D2 3F5 5D2 3F6 5D2 3F7 5D2 3F8 5D2 3F9 5D2 3G4 5D2 3G5 5D2 3G6 5D2 3G7 5D2 1S3 5D2 1S4 5D2 1P 5D2 1D5 5D2 1D6 5D2 1F2 5D2 1F3 5D2 1F4 5D2 1G5 5D2 1G6 5D2 1G7 5D2 1G8 5D3 5D3 5D3 5F2 5D3 5G2 5D3 5G3 5D3 3P4 5D3 3P5 5D3 3P6

z1 -7.563068 -10.445192 14.659398 0 0 0 0 0 0 0 0 0 14.357143 7.385866 -17.233688 -3.481731 -10.365760 3.207135 -5.886425 -9.095917 -14.659622 -9.258673 0 -7.649463 -4.582576 2.858571 9.936944 14.853571 -11.843735 12.994168 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -17.357143 9 8.182236 -19.848919 -4.605897 6.148170 -6.333584

z2 15.126136 73.116346 153.923682 0 40.620192 200.465816 92.391691 -41.516993 149.248116 -155.977824 -129.667943 87.525506 55.214286 -174.798835 120.635816 326.122113 245.322986 -6.414270 -164.819902 -72.767340 -43.978866 -27.776020 0 130.040873 215.381058 80.039990 79.495552 118.828568 -35.531204 38.982503 0 0 -236.643191 101.065749 176.592752 -93.808315 -256.248444 -181.422947 -85.757132 0 138.564065 0 216.087662 -251.282425 -16.714286 94.500000 -8.030713 -109.169055 331.624573 -96.833685 87.878477

z3 0.171888 -0.523139 0.475073 0.556187 0.246183 0.244700 -0.445088 0.041936 -0.326637 0.157553 -0.609550 -0.088410 -0.238095 -0.267334 -0.304636 0.095249 -0.479896 -0.668153 0.044594 0.620176 -0.175484 -0.030465 -0.173830 -0.014940 -0.034716 0.397926 -0.183495 0.464174 0.497643 -0.054689 0.183941 -0.966870 0 0.183756 -0.267565 0.390868 0.168244 0.614192 0.048726 0.189489 -0.225254 -0.578102 -0.108453 -0.123738 -0.610390 0 0.453803 -0.334157 -0.220990 -0.240648 0.291889

z4 -0.317332 0.316521 -0.563823 0 0.738549 0.112938 -0.043073 -0.909696 0.301511 -0.166821 -0.460360 -0.367240 -0.357143 -0.074605 0.522233 0.527535 -0.797366 0 -0.917365 0 -0.080992 0.093522 0 0 -0.654654 -0.239880 0 0 0.119634 0.999551 0 0 0 -0.084810 -0.458682 0.243658 -0.453960 0 -0.119940 0.799600 -0.359907 0 -0.181332 0.210866 1.129870 0.045455 -0.564767 -0.393277 0 0.059885 0.968861 18


f 6 states 5D3 3D3 5D3 3D4 5D3 3D5 5D3 3F5 5D3 3F6 5D3 3F7 5D3 3F8 5D3 3F9 5D3 3G4 5D3 3G5 5D3 3G6 5D3 3G7 5D3 1S3 5D3 1S4 5D3 1P 5D3 1D5 5D3 1D6 5D3 1F2 5D3 1F3 5D3 1F4 5D3 1G5 5D3 1G6 5D3 1G7 5D3 1G8 5F1 5F1 5F1 5G1 5F1 3P2 5F1 3P3 5F1 3D1 5F1 3D2 5F1 3F2 5F1 3F3 5F1 3F4 5F1 3G1 5F1 3G2 5F1 3G3 5F1 3H2 5F1 3H3 5F1 3H4 5F1 1D2 5F1 1D3 5F1 1D4 5F1 1F1 5F1 1G2 5F1 1G3 5F1 1G4 5F1 1H1 5F1 1H2 5F2 5F2 5F2 5G2 5F2 5G3

z1 5.583190 1.245426 -19.971571 -1.029910 7.179516 12.875745 -12.000487 -0.969628 -2.233540 -6.785983 -16.302799 -7.405657 0 0 0 0 0 0 0 0 0 0 0 0 12.859821 -27.921766 11.618950 7.707140 -8.332381 -5.641049 14.641550 5.373546 10.004999 11.966471 -1.119630 14.418738 10.488088 -7.074602 13.099618 0 0 0 0 0 0 0 0 0 -30.006249 22.500000 29.474141

z2 65.602484 -106.520579 -29.957356 251.812957 147.180084 17.634173 -67.624366 77.085431 -99.907979 -218.282447 209.219252 144.410304 0 95.003759 15.370426 202.082904 86.983901 203.553806 221.126933 -97.967629 -116.458757 -81.513994 -56.071400 -63.973634 -240.049995 -223.374126 92.951600 61.657116 155.537777 335.642388 117.132404 -319.726006 80.039990 -223.374126 66.617987 115.349902 83.904708 420.938847 104.796947 0 -241.809584 0 230.342815 0 -47.994140 0 -303.260408 0 -111.451783 -288.750000 137.545992

z3 -0.303128 0.417362 0.121040 -0.156047 -0.870244 -0.415620 0.130226 -0.190987 0.514565 0.228484 0.384241 -0.374023 -0.257464 -0.375857 0.610677 0.074227 -0.040552 0.082244 0.350591 0 0.529929 0.128080 -0.163620 -0.766601 0 -0.564076 -0.484123 0.496293 0 0 0 0 -0.682159 0 0 0.546164 0.536323 0 -0.372148 0.640434 0 -0.475613 0 0.445941 0 0.850802 0 0.624318 -0.129897 -0.212121 -0.231559

z4 0.042297 0.386282 0.013966 0.109233 0.015540 0.540894 -0.859986 -0.039554 0.320193 -0.134454 0.247012 -0.647348 0 0.664362 -0.039923 -0.015906 -0.439833 -0.115142 -0.360596 0.358856 -0.120409 -0.164675 0.528564 0.409131 0 0 0 0 0 -0.598293 0 -0.732756 0 0 0.904317 0 0 -0.222627 0 0 -0.488504 0 -0.598293 0 0.738371 0 -0.181774 0 -0.779383 0.750000 0.229014 19


f 6 states 5F2 5H1 5F2 5H2 5F2 3P4 5F2 3P5 5F2 3P6 5F2 3D3 5F2 3D4 5F2 3D5 5F2 3F5 5F2 3F6 5F2 3F7 5F2 3F8 5F2 3F9 5F2 3G4 5F2 3G5 5F2 3G6 5F2 3G7 5F2 3H5 5F2 3H6 5F2 3H7 5F2 3H8 5F2 3H9 5F2 1P 5F2 1D5 5F2 1D6 5F2 1F2 5F2 1F3 5F2 1F4 5F2 1G5 5F2 1G6 5F2 1G7 5F2 1G8 5F2 1H3 5F2 1H4 5G1 5G1 5G1 5I1 5G1 3D1 5G1 3D2 5G1 3F2 5G1 3F3 5G1 3F4 5G1 3G1 5G1 3G2 5G1 3G3 5G1 3H2 5G1 3H3 5G1 3H4 5G1 3I1 5G1 3I2 5G1 1D2 5G1 1D3

z1 18.520259 -11.287161 0 14.788509 5.924525 0 -7.179516 3.994314 -0.981071 -5.373546 -10.132096 3.398529 12.007420 5.952940 7.837410 -5.379649 11.520498 -4.949747 1.286291 5.585696 -16.284962 14.090616 0 0 0 0 0 0 0 0 0 0 0 0 0.959403 29.890710 -10.445192 -1.071429 -4.541476 18.031223 -9.874209 -1.507634 2.115902 17.340179 -10.954451 18.472953 0 0 -17.257409 0 0

z2 148.162073 -5.643580 0 -189.785866 -115.528243 -113.990131 -147.180084 -137.803838 239.871821 -272.585349 5.599316 -19.927739 42.949616 -26.788232 297.821591 -2.689825 152.384769 356.381818 -63.671422 -14.662452 103.816635 29.061895 73.942545 -55.113519 46.837485 193.901151 -157.314126 -119.985351 168.695067 -88.379950 47.129310 -73.073846 76.803320 -135.747928 7.675226 -34.872495 73.116346 93.750000 -399.649847 51.442018 19.748418 -23.025677 -185.141416 -34.680359 350.542437 157.020102 0 -224.180325 34.514819 -155.977824 -133.409709

z3 -0.420915 -0.513053 0.304636 0.203321 0.284258 0.345425 -0.870244 0.040347 -0.356753 0.088819 0.169676 0.525851 0.051314 -0.240523 -0.316663 0.135850 -0.439027 -0.224989 0.760081 0 -0.061685 0.400302 -0.094053 0.315465 0.283864 0.188025 -0.274714 -0.727184 0.129213 -0.354503 0.055246 0.169494 0.465475 0.137119 -0.658984 0.088062 0.123091 -0.878788 0.275241 0.214275 0.224414 -0.988476 -0.359062 0.289003 -0.300832 -0.223915 0.393015 0.754816 0.239686 -0.353337 0.459500

z4 0 0.591984 0 -0.224068 0.517878 0.296078 -0.015540 0.228114 -0.133782 -0.266457 0.128656 -0.444711 -1.060365 -0.425210 0.078296 0.454126 -0.281970 0 0.202389 0.131830 0.801911 0.433147 0.149379 -0.111340 -1.069947 0.141019 -0.085770 0.055937 0.159901 -0.302751 0.655082 -0.208188 -0.087887 -0.949286 0.775275 -0.243864 0.316521 -0.399351 0 -0.530330 -0.414302 -0.332261 0.181011 0.210184 0 0.271281 0.765432 0.104513 1.206812 -0.166821 -0.326068 20


f 6 states 5G1 1D4 5G1 1F1 5G1 1G2 5G1 1G3 5G1 1G4 5G1 1H1 5G1 1H2 5G1 1I2 5G1 1I3 5G2 5G2 5G2 5G3 5G2 5H1 5G2 5H2 5G2 5I2 5G2 3D3 5G2 3D4 5G2 3D5 5G2 3F5 5G2 3F6 5G2 3F7 5G2 3F8 5G2 3F9 5G2 3G4 5G2 3G5 5G2 3G6 5G2 3G7 5G2 3H5 5G2 3H6 5G2 3H7 5G2 3H8 5G2 3H9 5G2 3I3 5G2 3I4 5G2 3I5 5G2 3I6 5G2 1D5 5G2 1D6 5G2 1F2 5G2 1F3 5G2 1F4 5G2 1G5 5G2 1G6 5G2 1G7 5G2 1G8 5G2 1H3 5G2 1H4 5G2 1I4 5G2 1I5 5G2 1I6 5G2 1I7 5G3 5G3

z1 0 0 0 0 0 0 0 0 0 -2.741152 -16.158621 -29.393877 -15.674821 -14.945355 -11.843735 6.665307 11.297626 10.985705 5.982930 3.732100 -8.216550 1.292837 0.828846 -13.162927 -6.553972 -5.358935 -10.474459 13.695056 0 15.076946 6.522688 16.946440 6.522688 15.816677 -6.587592 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -5.125954

z2 61.324663 28.145826 -52.009704 263.463066 88.202836 -113.123273 40.987803 -196.922343 61.376261 32.893825 15.859387 -235.151015 305.659001 -94.653915 -35.531204 -128.074048 90.381012 -186.756985 212.394024 104.498804 -65.732397 10.342699 2.486539 252.925980 -183.511208 -42.871478 20.948917 93.185921 0 120.615564 52.181501 50.839319 182.635255 126.533416 -52.700733 138.564065 -63.084006 260.548871 -111.963004 -261.247010 32.727273 196.619152 -216.909264 -59.350081 0 279.284801 84.969611 -195.680630 249.171228 211.676289 82.618323

z3 0.317464 0.384900 -0.483760 0.460700 -0.020881 -0.365651 0.284638 -0.427660 -0.387476 0.470703 0.362708 -0.269073 -0.197914 -0.062901 -0.357239 0.051716 -0.213970 -0.010403 0.024173 0 1.064744 -0.979422 0.346922 0.041334 -0.139024 0.243588 0.359564 -0.022554 0.605609 -0.328380 0.636209 -0.870145 -0.115300 0.599117 -0.249530 -0.087477 0.197536 0.427669 -0.282735 0.026389 -0.772727 -0.456792 0.300296 -0.065945 -0.091413 0.310316 0.236027 -0.378843 0.144721 -0.144736 -0.185789

z4 -0.257306 -0.433013 0.175117 0.147795 -0.657923 0.221500 0.745233 -0.055083 1.115932 -0.553768 0.255988 0 0.383649 0.174188 0.119634 0.707973 0 0 0.940175 -0.313183 0 0 -0.125583 -0.320898 0.158884 0 0 -0.480930 0.578613 0 0 0.039502 0.912264 0 0 -0.359907 0.547022 0 -0.156592 0.386259 0.377804 0.079442 -0.661861 -0.363387 0.289306 -0.546851 -0.118839 0.456132 0.766681 -0.195849 0.502779 21


f 6 states 5G3 5H1 5G3 5H2 5G3 5I2 5G3 3D3 5G3 3D4 5G3 3D5 5G3 3F5 5G3 3F6 5G3 3F7 5G3 3F8 5G3 3F9 5G3 3G4 5G3 3G5 5G3 3G6 5G3 3G7 5G3 3H5 5G3 3H6 5G3 3H7 5G3 3H8 5G3 3H9 5G3 3I3 5G3 3I4 5G3 3I5 5G3 3I6 5G3 1D5 5G3 1D6 5G3 1F2 5G3 1F3 5G3 1F4 5G3 1G5 5G3 1G6 5G3 1G7 5G3 1G8 5G3 1H3 5G3 1H4 5G3 1I4 5G3 1I5 5G3 1I6 5G3 1I7 5H1 5H1 5H1 5H2 5H1 5I2 5H1 5K 5H1 3F5 5H1 3F6 5H1 3F7 5H1 3F8 5H1 3F9 5H1 3G4 5H1 3G5 5H1 3G6

z1 -16.043690 5.264979 -30.119761 -7.835778 -6.785983 -4.743416 -0.204416 -7.837410 10.812010 -1.180194 -16.012899 4.410889 8.350005 -6.439090 -11.925000 4.287857 6.600000 9.119210 -13.926439 -6.024948 -5.692100 -9.859006 13.281566 -5.531727 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -9.133273 -5.994442 -28.618176 -22.449944 9.688481 -14.774056 -6.582806 0.572078 -6.841053 0 -12.798437 -2.509980

z2 -128.349523 81.607169 336.337331 -92.070392 -218.282447 21.345374 49.979600 -297.821591 14.807752 143.393533 -3.663969 197.302450 62.332958 82.634983 124.537500 -308.725676 114.300000 15.958618 76.911927 -225.524763 82.535447 126.523911 59.767048 -24.892770 -283.615056 39.729635 40.401169 185.684514 36.196728 229.987617 -32.195448 28.982143 87.963007 159.586184 119.605602 -133.782388 -49.295030 -156.925384 133.721660 63.932908 -47.955535 -228.945408 -179.599555 -116.261774 50.653906 -217.232594 -15.446094 184.708419 -444.393648 43.880357 -82.829343

z3 1.093888 -0.771133 0.583127 -0.544151 0.228484 -0.191653 0.272554 -0.633326 1.047013 -0.265842 0.123640 0.411272 0.127036 -0.227645 0.146591 -0.324838 0.845455 0.092113 -0.572276 -0.247582 0.661204 -0.029046 0.103972 -0.776677 -0.286480 0.465519 -0.143649 -0.403610 -0.445396 0.216523 0.802176 0.036255 0.631777 -0.291692 -0.319801 0.027027 0.650075 0.180702 0.288375 0 0.408712 0.433609 -1.048798 0.557363 0.527645 0.280517 -0.060916 0.048227 -0.152550 -0.180065 0.289979

z4 0 -0.902042 0.105314 0.452064 -0.134454 0.149268 -0.165105 -0.078296 0.024655 0.329299 0.785177 -0.145131 0.171891 -0.342718 -0.509528 0 -0.308392 -0.507888 -0.418324 -0.060326 -0.059707 0.149379 -1.365308 0.568646 -0.169999 0.277830 0.174036 -0.016437 0.221566 0.054577 0.228478 -0.215976 0.975101 0.338592 0.206641 0.022453 -0.099586 0.869125 0.898400 -0.574821 0 0 0 0 0 -0.414302 0.699206 0.568759 0 0 0.684540 22


f 6 states 5H1 3G7 5H1 3H5 5H1 3H6 5H1 3H7 5H1 3H8 5H1 3H9 5H1 3I3 5H1 3I4 5H1 3I5 5H1 3I6 5H1 3K3 5H1 3K4 5H1 3K5 5H1 3K6 5H1 1F2 5H1 1F3 5H1 1F4 5H1 1G5 5H1 1G6 5H1 1G7 5H1 1G8 5H1 1H3 5H1 1H4 5H1 1I4 5H1 1I5 5H1 1I7 5H1 1K2 5H1 1K3 5H2 5H2 5H2 5I2 5H2 5K 5H2 3F5 5H2 3F6 5H2 3F7 5H2 3F8 5H2 3F9 5H2 3G4 5H2 3G5 5H2 3G6 5H2 3G7 5H2 3H5 5H2 3H6 5H2 3H7 5H2 3H8 5H2 3H9 5H2 3I3 5H2 3I4 5H2 3I5 5H2 3I6 5H2 3K3 5H2 3K4

z1 -10.261579 17.086788 4.781910 10.753488 9.729787 -4.209365 0 9.367497 -11.898319 -6.307139 17.908860 -6.184658 15.253685 -1.532262 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.140512 1.341641 -21.049392 1.291640 1.286291 4.590525 18.304247 4.209365 8.886788 -6.600000 -17.974044 2.525619 1.602082 -11.224984 -11.195191 4.257301 -13.945223 9.127666 -1.756620 16.226962 -1.478416 2.398801 -23.195301

z2 277.062628 51.260365 -16.395121 354.865098 -262.704242 113.652843 432.666153 309.127401 321.254619 170.292748 -61.401806 -204.093728 -411.849491 41.371067 153.188337 131.656118 0 0 50.199602 0 0 -215.069756 0 0 -187.349940 0 123.693169 0 -123.369435 -210.637603 -10.524696 -315.805927 -63.671422 104.906990 -100.673358 136.804348 78.499960 -114.300000 52.201212 -150.274315 -115.349902 -132.874342 278.541226 92.596306 -25.061933 178.243032 -156.778347 20.537248 86.487344 -118.740645 60.887665

z3 0.079899 0 0.791810 -0.185405 -0.147421 -0.134643 -0.245833 0.283864 -0.087407 0.207053 0.319801 -0.187414 0.188317 0.050302 0.065279 0.187012 0.680722 0.401566 0.193319 -0.030232 0.984365 -0.123603 0.509753 0.647120 0.189242 -1.025133 -0.124943 0.757424 0.229929 -0.579345 0.066444 -0.352265 -0.058468 0.257757 -0.300962 0.346292 0.224414 -0.209091 0.243362 -0.257948 -0.546164 -0.157217 0.658215 0.177388 0.598326 -0.656915 -0.652079 -0.191056 0.095574 -0.458862 0.538149

z4 -0.550155 -0.460882 0 -0.132247 -0.587164 -0.443722 0 -0.633234 0.148761 -0.455761 0 -0.389244 -0.130373 0.889355 0 -0.552403 0 0 0.912720 0 0 -0.176329 0 0 -0.844312 0 -0.518992 0 -0.548291 -0.497251 1.103989 -0.040646 0.202389 0.552336 1.086118 -0.459749 0.217509 0.308392 -0.148424 -0.046117 0 -0.187451 0.150619 0.753380 -1.297238 0.281915 -0.080870 0.468913 0.764710 0.377434 -0.547442 23


f 6 states 5H2 3K5 5H2 3K6 5H2 1F2 5H2 1F3 5H2 1F4 5H2 1G5 5H2 1G6 5H2 1G7 5H2 1G8 5H2 1H3 5H2 1H4 5H2 1I4 5H2 1I5 5H2 1I6 5H2 1I7 5H2 1K2 5H2 1K3 5I1 5I1 5I1 3G1 5I1 3G2 5I1 3G3 5I1 3H2 5I1 3H3 5I1 3H4 5I1 3I1 5I1 3I2 5I1 3K1 5I1 3K2 5I1 3L1 5I1 1G2 5I1 1G3 5I1 1G4 5I1 1H1 5I1 1H2 5I1 1I2 5I1 1I3 5I1 1K1 5I1 1L1 5I1 1L2 5I2 5I2 5I2 5K 5I2 5L 5I2 3G4 5I2 3G5 5I2 3G6 5I2 3G7 5I2 3H5 5I2 3H6 5I2 3H7 5I2 3H8 5I2 3H9

z1 9.534717 -22.986732 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -11.414703 0 21.297887 -11.576622 10.665365 12.016655 -11.271646 -17.937391 16.946440 -3 24.738634 21.424285 0 0 0 0 0 0 0 0 0 0 -21.198735 -12.727922 -30.298515 16.946440 3.432465 4.375552 9.632332 10.198039 17.990546 4.260282 10.162431 -9.421153

z2 -78.661415 -58.185167 -255.282727 163.368672 -80.199166 309.124175 -242.840804 -46.303010 165.029904 59.626562 -131.812367 364.699440 -162.487362 176.148306 78.274149 -318.935386 0 117.951936 -224.180325 10.648944 23.153244 -341.291664 227.367764 22.543292 -102.732331 -33.892879 -241.500000 -49.477268 10.712143 -196.922343 101.439637 -40.460418 -243.997951 -102.615788 -468.394562 28.126136 312.309942 102.041658 -113.666178 463.654382 -70.003571 338.333415 50.839319 310.638112 122.515454 77.058655 -20.396078 -88.729576 119.287887 81.299446 -75.369221

z3 0.173559 -0.216770 0.185660 0.245483 0.373134 -0.135026 -0.606474 0.486604 -0.445781 -0.567872 0.682789 -0.520071 0.909361 0.320270 0.536400 0.834679 0.355086 0.230600 -0.490630 -0.044819 -0.214382 -0.484789 -0.862439 -0.450245 0.345900 0.313823 -0.795455 -0.562242 -0.162305 0.556952 0.885584 -0.081738 0.657234 -0.380058 0.169284 0.369333 0.204124 -0.927651 0.516664 -0.164714 0.273200 -0.573836 0.777425 0.066453 0.277155 -1.039854 0.579434 0.066022 0.267001 0.025663 0.287076

z4 -0.638982 -0.808755 0.042845 -0.368224 0.635611 -0.081794 0.098950 -0.344730 -0.668092 -0.100413 0.061451 -0.106014 0.053913 -0.607691 0.581717 0.364961 0 0.824839 0.104513 0.074468 0.809554 0 0.351610 -1.218169 -0.353502 -0.026335 -0.346154 1.037985 0.074910 -0.055083 0.060803 0.890395 0.287088 -0.462449 0.186312 -0.642508 -0.282633 0.061164 0.476921 -0.589171 -0.489535 0.105939 0.039502 -0.132018 0.611965 0 0 -0.623338 -0.920849 0 0 24


f 6 states 5I2 3I3 5I2 3I4 5I2 3I5 5I2 3I6 5I2 3K3 5I2 3K4 5I2 3K5 5I2 3K6 5I2 3L2 5I2 3L3 5I2 1G5 5I2 1G6 5I2 1G7 5I2 1G8 5I2 1H3 5I2 1H4 5I2 1I4 5I2 1I5 5I2 1I6 5I2 1I7 5I2 1K2 5I2 1K3 5I2 1L3 5I2 1L4 5K 5K 5K 5L 5K 3H5 5K 3H6 5K 3H7 5K 3H8 5K 3H9 5K 3I3 5K 3I4 5K 3I5 5K 3I6 5K 3K3 5K 3K4 5K 3K5 5K 3K6 5K 3L2 5K 3L3 5K 3M2 5K 3M3 5K 1H3 5K 1H4 5K 1I4 5K 1I5 5K 1I6 5K 1I7 5K 1K2 5K 1K3

z1 -3.081680 -6.405152 0.739603 -17.250364 -17.889270 -9.350325 -7.687135 5.212265 3.452836 20.192451 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -34.166659 -9.276988 6 2.398801 -18.229309 4.428926 19.653416 -7.216054 5.902103 4.369721 -20.103198 -9.310907 3.659062 21.479647 -3.041681 15.858163 -13.052261 20.804897 -13.675937 0 0 0 0 0 0 0 0

z2 -9.245041 -179.344260 5.916826 -138.002914 242.472130 -261.809091 -61.497077 41.698116 312.481677 161.539606 84.969611 -131.266557 -142.701214 -154.090239 -127.808450 -107.570575 324.483060 192.154564 114.184601 -266.489731 280.509740 -404.880935 -336.048466 0 -161.920253 157.708790 -432 -118.740645 47.851935 -119.580999 -65.036929 -232.116389 -302.569581 140.893445 27.349700 -347.889354 220.410353 159.830740 156.646557 121.579249 -116.439910 -266.996182 266.680769 -250.652993 -137.126115 -332.416257 -164.911705 -103.050523 -41.600772 247.468155 140.930026

z3 -0.121400 0.528371 1.322321 0.604416 0.031134 0 0.524123 0.704182 -0.065395 1.300271 -0.029503 0.454866 0.260808 0.128409 0.745256 -0.258966 0.270403 -0.043132 0.288345 -0.088830 0.708358 0.265831 -0.254582 0 -0.855292 0.343592 0.022727 0.367998 -0.886147 -0.106249 -0.454065 -0.309780 -0.042959 0.423467 0.246745 0.584817 -1.072333 -0.283469 0.497730 -1.131963 -0.360828 -0.612939 -0.656169 -0.042197 0.548718 -0.479677 0.428426 0.222249 0.336168 1.030023 -0.313346

z4 -0.133611 -0.019907 0 0 0.613665 0.784643 0 0 -0.132801 0 -0.118839 0.305983 -0.778370 0.726106 -0.460425 -0.377793 0.401957 -0.009954 0.585562 0.482042 0.392321 -0.113253 0.197096 -1.083492 -0.421298 -0.800113 0 0.377434 -0.430237 -1.084003 -0.396613 -0.277541 0.447938 0.222733 -0.331838 -0.144034 0.165872 -0.483530 1.106775 -0.273544 -0.622108 -0.315226 -1.195449 0.286825 -0.958924 0.104369 -0.298626 -0.346683 0.640012 -0.110581 -0.658701 25


f 6 states 5K 1L3 5K 1L4 5K 1M1 5K 1M2 5L 5L 5L 3I3 5L 3I4 5L 3I5 5L 3I6 5L 3K3 5L 3K4 5L 3K5 5L 3K6 5L 3L2 5L 3L3 5L 3M2 5L 3M3 5L 3N 5L 1I4 5L 1I5 5L 1I6 5L 1I7 5L 1K2 5L 1K3 5L 1L3 5L 1L4 5L 1M1 5L 1M2 5L 1N2 3P1 3P1 3P1 3F1 3P2 3P2 3P2 3P3 3P2 3D1 3P2 3D2 3P2 3F2 3P2 3F3 3P2 3F4 3P3 3P3 3P3 3D1 3P3 3D2 3P3 3F2 3P3 3F3 3P3 3F4 3P4 3P4 3P4 3P5 3P4 3P6 3P4 3D3 3P4 3D4 3P4 3D5 3P4 3F5

z1 0 0 0 0 -61.769228 -5.725881 22.314413 -7.729939 18.264837 -15.858163 -10.824080 19.445407 13.085644 -7.039257 6.499913 4.003904 14.212451 -28.837476 0 0 0 0 0 0 0 0 0 0 0 -9 10.392305 8.500000 1.658312 -0.731925 -3.964125 4.041452 0 6.904105 3.500000 -3.398529 1.673320 -1.914854 -5.366563 2.081666 3.250000 1.311011 2.836151 -0.462910 6.147009 3.122499 -9.128709

z2 -86.629612 207.551247 104.024486 -148.468747 -185.307683 83.025276 -286.368303 -124.108473 -132.272774 -121.579249 -155.746489 90.470582 -153.861849 -513.865747 176.580959 322.314300 291.355236 129.768640 -134.576355 111.572066 59.669833 -122.330738 -306.682275 12.151389 245.309311 93.515028 340.331869 154.293248 -147.427949 63 83.138439 290.500000 -28.191311 23.421602 126.851995 -198.608493 0 -117.369786 123.500000 210.708804 -28.446441 -168.507171 50.982350 -22.898326 -197.750000 40.641343 -104.937571 70.362328 -36.347529 -115.532463 -102.241544

z3 0.915949 0.768708 -0.431976 -0.549884 0.623932 -0.650668 0.920376 0.088925 0.046123 -0.662092 -0.148816 -0.461916 -0.899665 -0.426622 0.554426 -0.212328 -0.227304 -0.691808 0.097874 0.237920 -0.154030 0.741398 -0.653980 0.540062 -0.294666 0.934101 -0.343770 0.086584 -0.372293 0 0.577350 0 -0.452267 -0.121988 -0.170177 0.024056 -0.524378 -0.052304 -0.163636 0.154479 -0.105639 0.369915 0.539818 0.280710 0 0.607832 -0.214860 0.038576 0.300331 0.039425 0.053251

z4 0.382050 0.345573 0.210150 1.176675 -0.143984 -0.060062 -0.338097 1.502543 -0.177855 0.273544 0.458362 0.687976 -0.154973 -0.049226 -0.556390 -0.433990 0.270556 0.907473 0.022586 0.225398 1.109633 0.868133 -0.305575 -0.186944 0.577998 -0.818650 0.289326 -0.199810 -1.030965 1 0 0.166667 0.050252 0 0 0 0 -0.434524 0.669697 -0.264820 -0.065194 0 -0.243935 0.235825 0.416667 0.039728 0.006611 0 0 0.240192 0 26


f 6 states 3P4 3F6 3P4 3F7 3P4 3F8 3P4 3F9 3P5 3P5 3P5 3P6 3P5 3D3 3P5 3D4 3P5 3D5 3P5 3F5 3P5 3F6 3P5 3F7 3P5 3F8 3P5 3F9 3P6 3P6 3P6 3D3 3P6 3D4 3P6 3D5 3P6 3F5 3P6 3F6 3P6 3F7 3P6 3F8 3P6 3F9 3D1 3D1 3D1 3D2 3D1 3F2 3D1 3F3 3D1 3F4 3D1 3G1 3D1 3G2 3D1 3G3 3D2 3D2 3D2 3F2 3D2 3F3 3D2 3F4 3D2 3G1 3D2 3G2 3D2 3G3 3D3 3D3 3D3 3D4 3D3 3D5 3D3 3F5 3D3 3F6 3D3 3F7 3D3 3F8 3D3 3F9 3D3 3G4 3D3 3G5 3D3 3G6 3D3 3G7 3D4 3D4

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z2 0 169.203403 128.704701 -69.958380 51.275000 48.404526 13.594116 22.564629 42.573760 -168.507171 -37.614099 -70.672561 24.754081 -48.855220 59.175000 -210.061216 33.213880 -120.142671 0 12.891593 -88.594399 -62.291667 82.950000 -181.572872 26.212270 -104.889965 142.711247 102.324600 -284.915977 -36.787844 0 -139.534754 38.542069 -82.486363 -29.558296 -102.710485 2.887593 -56.202758 -8.463737 13.363744 0 22.082098 -54.237902 6.601587 -229.483893 -343.028529 -6.837983 -18.755466 0 0 -113.034033

z3 0.335859 0.070295 0.123776 0.274543 0.143182 -0.475277 0.154479 -0.215764 0.423272 -0.406907 0.354178 -0.245621 -0.273264 0.091732 0.129545 -0.159137 0.558924 -0.011468 0.201370 -0.231788 0.354174 -0.061219 0.538699 -0.249392 -0.007675 0.345033 0.329044 -0.675162 0.099769 0.340628 -0.485479 -0.266396 -0.212353 0 -0.392448 -0.540821 -0.145838 0.104577 -0.015587 -0.276929 -0.501805 -0.577930 0.260566 0.239120 0.301524 0.024363 0.006236 0.107355 -0.288253 -0.186074 0.205851

z4 0 -0.343521 0.316228 -0.171888 0.167424 0.046015 -0.529641 0.100771 -0.002082 0 0.377051 0.058956 -0.348109 -0.553440 1.054371 0 -0.168657 0.573387 -0.231746 0.090151 0.286455 -0.234908 -0.032517 -0.233805 -0.057559 0 0.402911 0.069247 0.345353 -0.615181 0 -0.986232 -0.148647 -0.039676 0.588850 -0.435727 0.343280 0.268913 -0.514371 0.026997 0 0 -0.188982 0.138495 0 0 0.759776 0.288546 0 0 0.560359 27


f 6 states 3D4 3D5 3D4 3F5 3D4 3F6 3D4 3F7 3D4 3F8 3D4 3F9 3D4 3G4 3D4 3G5 3D4 3G6 3D4 3G7 3D5 3D5 3D5 3F5 3D5 3F6 3D5 3F7 3D5 3F8 3D5 3F9 3D5 3G4 3D5 3G5 3D5 3G6 3D5 3G7 3F1 3F1 3F1 3H1 3F2 3F2 3F2 3F3 3F2 3F4 3F2 3G1 3F2 3G2 3F2 3G3 3F2 3H2 3F2 3H3 3F2 3H4 3F3 3F3 3F3 3F4 3F3 3G1 3F3 3G2 3F3 3G3 3F3 3H2 3F3 3H3 3F3 3H4 3F4 3F4 3F4 3G1 3F4 3G2 3F4 3G3 3F4 3H2 3F4 3H3 3F4 3H4 3F5 3F5 3F5 3F6 3F5 3F7 3F5 3F8 3F5 3F9

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z2 -272.218110 87.102285 -153.099688 37.892309 -190.636884 29.622747 29.704047 92.862361 41.465647 -16.114492 -48.384858 0 23.988569 -134.524618 8.795190 40.451992 -260.907507 -49.130508 -33.683014 52.964090 419.065627 75.046652 98.946051 36.714379 -218.747049 -150.636744 -7.649794 -315.248050 -179.278113 -48.336726 -286.407118 -92.294216 15.384546 -93.160648 40.019995 10.458250 -136.322059 -100.164457 -3.800585 -100.193270 -133.593199 24.820666 15.577762 96.314813 -50.416261 103.967231 256.095661 82.971837 -218.747049 0 0

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z4 0.002431 0.272548 0.022543 -0.910189 -0.149704 -0.006885 0.204374 -0.195046 -0.415660 -0.112689 -1.197354 -0.208324 -0.039709 -0.034842 0.356728 -0.350773 0 0.025984 -0.706637 -0.172843 0 0 0 0.182055 0 0 -0.224679 0 0 0.055312 0 0.680301 0.140062 0.578638 -0.199900 0.494390 0 -0.516726 0.143519 0.894858 -0.090408 -0.026841 -0.326806 0.356575 0.601307 -0.582396 0 -0.333802 0 0.209478 -0.048173 28


f 6 states 3F5 3G4 3F5 3G5 3F5 3G6 3F5 3G7 3F5 3H5 3F5 3H6 3F5 3H7 3F5 3H8 3F5 3H9 3F6 3F6 3F6 3F7 3F6 3F8 3F6 3F9 3F6 3G4 3F6 3G5 3F6 3G6 3F6 3G7 3F6 3H5 3F6 3H6 3F6 3H7 3F6 3H8 3F6 3H9 3F7 3F7 3F7 3F8 3F7 3F9 3F7 3G4 3F7 3G5 3F7 3G6 3F7 3G7 3F7 3H5 3F7 3H6 3F7 3H7 3F7 3H8 3F7 3H9 3F8 3F8 3F8 3F9 3F8 3G4 3F8 3G5 3F8 3G6 3F8 3G7 3F8 3H5 3F8 3H6 3F8 3H7 3F8 3H8 3F8 3H9 3F9 3F9 3F9 3G4 3F9 3G5 3F9 3G6 3F9 3G7 3F9 3H5

z1 1.982062 -0.652377 7.164728 0 -8.240221 -4.122170 6.509253 0 0 -4.110154 3.372826 -0.806738 2.411796 7.056532 5.522240 1.828359 7.474901 -6.605910 0.373191 -1.782632 4.252272 1.839646 6.350424 6.340777 -1.458167 4.309458 3.736981 6.815271 4.592793 -4.479032 -2.240636 -11.158787 0 0 0.929745 3.932023 0 -6.615340 -4.851054 0.461224 -0.233550 -4.036056 5.073460 -1.942325 -13.638739 2.837424 0 0.727582 2.360879 -10.288404 2.792848

z2 31.712999 -17.287980 -315.248050 0 -92.290470 -109.237500 -286.407118 0 0 8.220308 -22.294692 32.672895 177.267028 60.276600 -77.311354 -14.024854 230.719206 39.061033 -86.393710 7.819273 -152.018728 196.382214 -12.077239 -23.249516 -104.015888 -8.618916 -31.818896 190.827584 -18.371173 -138.849995 51.605126 -98.115672 53.560713 162.202525 137.829052 -53.285697 -189.753086 -63.092267 108.415422 -77.024353 8.641338 179.604514 -44.738696 -64.096724 -31.220431 -53.692784 29.856801 207.157603 79.595352 55.578593 -103.335376

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z4 0 0.411955 0 -0.163869 0 -0.101416 0 -0.106168 -0.321518 -0.386535 -0.216495 -0.077414 -0.184586 -0.271405 0.113580 -0.764181 -0.049085 0 0.293594 -0.221837 0.139595 0.075401 0.223714 -0.127549 0.080317 -0.180816 0.041488 -0.081702 -0.710866 0.281897 -0.929444 -0.145599 -0.002774 -0.008402 0.738024 -0.311945 0 -0.057324 -0.276910 -0.366614 0.285450 0.189069 -0.636826 0.345836 -0.330425 0.604858 0 -0.136682 -0.084907 -0.303611 0.232195 29


f 6 states 3F9 3H6 3F9 3H7 3F9 3H8 3F9 3H9 3G1 3G1 3G1 3G2 3G1 3G3 3G1 3H2 3G1 3H3 3G1 3H4 3G1 3I1 3G1 3I2 3G2 3G2 3G2 3G3 3G2 3H2 3G2 3H3 3G2 3H4 3G2 3I1 3G2 3I2 3G3 3G3 3G3 3H2 3G3 3H3 3G3 3H4 3G3 3I1 3G3 3I2 3G4 3G4 3G4 3G5 3G4 3G6 3G4 3G7 3G4 3H5 3G4 3H6 3G4 3H7 3G4 3H8 3G4 3H9 3G4 3I3 3G4 3I4 3G4 3I5 3G4 3I6 3G5 3G5 3G5 3G6 3G5 3G7 3G5 3H5 3G5 3H6 3G5 3H7 3G5 3H8 3G5 3H9 3G5 3I3 3G5 3I4 3G5 3I5 3G5 3I6 3G6 3G6

z1 6.497106 -3.394113 4.672853 -0.118918 -1.525329 7.664679 3.783937 -2.390457 -10.480935 0 -6.522688 -3.765875 2.851269 2.336664 -3.690399 1.914854 -7.445804 -4.647580 3.577709 1.563213 2.160247 -12.073663 -8.094443 -2.526226 4.861724 1.256154 -10.611904 7.567875 0 -1.511858 -1.890767 0 0 0 3.261344 -7.531751 0 0 4.675683 1.619080 5.365944 5.722554 4.003786 -3.174902 3.085450 -10.678781 -10.899541 2.479003 3.236833 -1.348130 -3.859183

z2 128.549883 102.247641 -124.105479 -76.166773 -7.417288 202.836955 -234.604115 76.494631 -9.271596 0 225.032725 233.484280 -199.150206 -22.198311 118.092780 -95.742711 -22.337413 160.341511 -33.988233 96.528432 -36.724197 -10.200163 56.661098 156.626017 179.883801 0.478535 -58.660792 -15.135749 123.759297 229.802400 -33.604087 0 -348.187142 -150.635019 9.784032 15.063502 -365.270510 152.133912 -249.336537 16.377618 -84.856329 -33.837708 -154.493920 28.177251 -136.476053 -200.203307 -84.719162 25.076066 202.764497 -84.450716 66.338872

z3 -0.607834 -0.297083 -0.132101 0.687774 0.493036 -0.257448 0.108932 -0.065647 -0.073293 -1.075335 -0.065886 0.090343 -0.081085 -0.460252 0.754854 -0.336550 -0.350981 -0.142792 0.388489 0.029606 0.499148 0.154548 -0.119236 -0.348738 -0.164513 0.030815 -0.081139 -0.375527 -0.175794 0.020759 -0.320337 0.253990 -0.061823 0.197922 -0.004118 -0.311446 -0.363195 -0.388979 0.062657 -0.273621 0.331737 -0.305354 0.260061 -0.347422 0.441335 -0.173116 0.331957 0.346473 -0.044956 0.547617 -0.025906

z4 -0.080032 0.475031 0.708328 -0.389601 -0.362526 0.197499 -0.045866 0 0.295992 -0.167031 0.114033 -0.263348 -0.438861 -0.373104 0 0.787367 -0.552919 0.081251 0.162623 -0.935560 0.589158 0.161584 0.245286 -0.176659 0.985944 -0.797558 -0.092635 -0.091732 0 0 -0.138833 -0.334062 0 0 0.250873 -0.526696 0 0 0.249353 0.576708 -0.088697 0 -0.447367 0.854649 -0.072821 -0.010501 -0.038110 -0.251367 -0.237670 0.098989 -0.233890 30


f 6 states 3G6 3G7 3G6 3H5 3G6 3H6 3G6 3H7 3G6 3H8 3G6 3H9 3G6 3I3 3G6 3I4 3G6 3I5 3G6 3I6 3G7 3G7 3G7 3H5 3G7 3H6 3G7 3H7 3G7 3H8 3G7 3H9 3G7 3I3 3G7 3I4 3G7 3I5 3G7 3I6 3H1 3H1 3H2 3H2 3H2 3H3 3H2 3H4 3H2 3I1 3H2 3I2 3H2 3K1 3H2 3K2 3H3 3H3 3H3 3H4 3H3 3I1 3H3 3I2 3H3 3K1 3H3 3K2 3H4 3H4 3H4 3I1 3H4 3I2 3H4 3K1 3H4 3K2 3H5 3H5 3H5 3H6 3H5 3H7 3H5 3H8 3H5 3H9 3H5 3I3 3H5 3I4 3H5 3I5 3H5 3I6 3H5 3K3 3H5 3K4 3H5 3K5

z1 -2.196873 1.707825 -5.702993 6.070832 1.966596 3.038578 -5.052452 -8.994190 -3.620924 -6.383131 -6.385448 -4.189272 6.887909 2.757716 3.092329 -9.899897 0 -5.886425 -3.892861 -11.889996 11.958261 -11.293913 -1.378853 9.255129 -2.327373 8.062258 -5.163978 -5.322906 -3.577257 -0.132476 12.283167 6.215189 1.531118 15.782403 3.648803 2.459675 3.872983 12.403473 -2.557042 -4.318261 2.138131 7.316822 -3.972169 1.718466 -1.471960 6.373774 4.857468 2.574879 8.007572 -4.208127 -6.227291

z2 108.245913 52.942579 23.222499 240.809666 104.229590 29.778062 10.104904 79.975366 43.030051 37.316767 -161.415748 155.003064 49.607603 82.519361 3.092329 -80.536997 -222.449177 57.258862 29.103767 121.061775 -83.707825 -385.986083 44.123284 -157.337188 74.475947 -137.058382 165.247289 90.489410 221.176720 -93.130540 131.733515 66.454711 -186.796397 15.782403 115.504534 -152.499836 143.300384 12.403473 120.180953 262.749562 -12.642863 226.821472 146.970246 -63.583238 223.737942 197.587006 -179.726334 -95.270510 -47.349122 -130.451939 230.409758

z3 -0.220898 -0.670839 0.258891 0.104332 0.393568 0.431309 0.446024 0.143949 -0.398178 -0.647861 -0.754009 0.163092 -0.393271 -0.246282 -0.494174 -0.087105 -0.340555 -0.352023 0.051103 -0.111457 0 0 0.282038 0.319142 0.105790 -0.488622 -0.723739 0.322600 0.100349 0.322157 0.558326 -0.170230 0.028998 0.555971 0.139374 0.247323 0.211254 -0.560662 -0.103315 0 -0.779615 -0.428917 0.300922 0.274839 -0.033454 0.656692 0.178419 -0.422644 -0.159571 -0.433565 -0.384401

z4 0.406880 0.465770 -0.249761 0.061322 -0.041257 -0.492122 -0.353318 0.246486 0.164293 -0.123611 -0.023913 0.224600 0.008028 0.209165 -0.728031 0.280039 0 0.130976 0.946749 0.645018 0.752618 0.125436 0 0.113820 0 0.545001 0 0.335008 0.478588 0.163974 -0.383638 -0.088040 -0.963641 -0.595979 0.718525 -0.265826 0.279866 -0.468383 -1.019240 0.313591 0 0.089983 -0.239709 -0.181149 0 0.430861 0.060731 -0.186063 0 0.264847 -0.053225 31


f 6 states 3H5 3K6 3H6 3H6 3H6 3H7 3H6 3H8 3H6 3H9 3H6 3I3 3H6 3I4 3H6 3I5 3H6 3I6 3H6 3K3 3H6 3K4 3H6 3K5 3H6 3K6 3H7 3H7 3H7 3H8 3H7 3H9 3H7 3I3 3H7 3I4 3H7 3I5 3H7 3I6 3H7 3K3 3H7 3K4 3H7 3K5 3H7 3K6 3H8 3H8 3H8 3H9 3H8 3I3 3H8 3I4 3H8 3I5 3H8 3I6 3H8 3K3 3H8 3K4 3H8 3K5 3H8 3K6 3H9 3H9 3H9 3I3 3H9 3I4 3H9 3I5 3H9 3I6 3H9 3K3 3H9 3K4 3H9 3K5 3H9 3K6 3I1 3I1 3I1 3I2 3I1 3K1 3I1 3K2 3I1 3L1 3I2 3I2 3I2 3K1 3I2 3K2

z1 0.625543 -6.518042 1.920589 4.446606 -1.648903 -5.178711 1.630871 1.518304 3.963332 0.695963 7.402603 -3.319562 -3.501292 -6.262756 0.603416 3.915806 4.919350 -7.165019 2.482035 6.649586 5.817745 -0.639260 5.781071 4.276208 -0.862375 4.989406 0 -5.081215 -7.627467 7.848599 -5.396839 1.205955 -6.579592 -6.002717 0.851922 0 -7.850961 6.394205 -0.775288 -2.334816 9.376200 8.844781 7.162974 -13.166146 3.698016 11.129112 5.398412 -4.675162 0.711684 -4.913538 -6.233550

z2 -23.145100 303.044813 80.572933 105.051074 -192.337665 -11.931632 -64.801640 219.103612 28.232306 -161.115372 -32.470510 79.254552 -326.245382 39.546582 -128.929834 -29.150997 -9.838699 63.710576 97.336039 -199.096441 -25.518744 183.467732 -8.934382 112.606805 -11.900769 42.875064 234.691287 103.318047 159.003347 87.944554 -8.480747 103.383214 60.478171 -142.679960 110.901370 -217.572200 153.355429 -22.518723 -86.902733 216.327871 -91.895971 -31.610151 -60.186108 -260.120346 -229.277012 218.326999 -334.701573 161.293101 73.303408 -112.066466 12.467100

z3 -0.102678 -0.077542 -0.069005 -0.609163 -0.773733 0.380512 0.195365 0.161478 -0.532396 -0.022408 0.193095 -0.248513 -0.513289 -0.121952 0.367738 0.007911 -0.633553 -0.184847 0.099945 0.064204 -0.015359 0.090400 -0.031852 0.821886 0.396170 -0.048690 -0.029633 -0.487591 0.716125 -0.131284 0.530533 -0.872628 0.044914 0.113105 -0.536747 0.360789 0.540844 0.344611 0.047165 -0.335338 -0.367667 0.174729 0.198107 -0.172529 -0.927617 -0.461233 0.204485 0.035418 -0.431323 -0.419961 0.417144

z4 0.363078 -0.271925 -0.253455 0.131147 -0.225820 0.179942 0.136084 0.081627 0.133119 0.547523 0.921208 -0.111232 -0.140786 0.179631 0.506207 0.165043 -0.531653 0.069966 0.240338 0.197856 0.723982 -0.254810 -0.033077 -0.302358 -0.076790 0.176820 0 -0.414551 -0.273989 0.977772 -0.188701 -0.252231 -0.479650 0.164679 0.159756 0 0.112000 0.584560 -0.184498 -0.069042 0.126786 -1.694893 0.363647 -0.385703 0.005747 -0.377685 -0.226507 0.081734 -0.841081 -0.487653 -0.261548 32


f 6 states 3I2 3L1 3I3 3I3 3I3 3I4 3I3 3I5 3I3 3I6 3I3 3K3 3I3 3K4 3I3 3K5 3I3 3K6 3I3 3L2 3I3 3L3 3I4 3I4 3I4 3I5 3I4 3I6 3I4 3K3 3I4 3K4 3I4 3K5 3I4 3K6 3I4 3L2 3I4 3L3 3I5 3I5 3I5 3I6 3I5 3K3 3I5 3K4 3I5 3K5 3I5 3K6 3I5 3L2 3I5 3L3 3I6 3I6 3I6 3K3 3I6 3K4 3I6 3K5 3I6 3K6 3I6 3L2 3I6 3L3 3K1 3K1 3K1 3K2 3K1 3L1 3K1 3M1 3K2 3K2 3K2 3L1 3K2 3M1 3K3 3K3 3K3 3K4 3K3 3K5 3K3 3K6 3K3 3L2 3K3 3L3 3K3 3M2 3K3 3M3 3K4 3K4

z1 -8.097619 12.454463 7.396033 0 0 -10.747093 10.796825 0 0 -10.964228 0 -2.490893 2.588611 -6.468887 -0.020146 5.454356 -4.484162 -3.619628 -5.610859 -5.048113 -3.202576 -2.074896 -6.692508 -1.889444 -5.547712 6.068760 -6.030325 -10.686607 -14.945355 -0.569689 -6.851069 3.805699 9.553420 -5.504296 -0.666450 -1.728876 -9.644220 5.398412 -7.549834 -5.745969 -13.093073 -14.648831 -6.532399 -2.693116 8.167281 7.165746 8.895111 -5.859645 -5.231298 11.903375 3.025532

z2 76.927378 -1.779209 -14.792065 -17.080406 398.380097 -52.828241 -21.593650 177.526769 -120.372094 -85.221950 -466.324674 61.026866 108.536779 56.063684 102.631627 152.721970 -74.308968 196.907772 -56.755995 -40.384901 -118.388562 -52.287388 -132.834763 -160.872691 57.696200 -89.877830 -166.731015 116.581168 -102.055424 242.646784 11.850497 85.247651 136.867358 161.863905 -19.993505 -41.925234 -95.498749 -375.189666 71.723427 91.579560 -81.831709 -80.568568 95.726666 93.974093 362.378329 46.471454 -471.440907 -230.738451 -52.916590 -29.758438 224.868244

z3 0.981530 -0.010783 0.245912 0.507883 -0.292372 -0.517053 0.470316 0.487526 -0.330567 -0.505925 -0.044160 0.377408 -0.422097 0.179691 -0.380578 -0.365001 0.033162 0.494683 0.356401 -0.369685 0.150532 -0.162848 0.896737 0.330925 0.576532 0.734974 0.364342 0.098623 0.272165 0.196267 0.142847 0.268641 -0.205799 -0.436417 0.274658 -0.373280 -0.209657 0.149956 -0.953262 -0.379058 0.013225 0.120224 0.288444 0.381211 0.180331 -0.099480 -0.115875 0.132872 -0.492848 0.535051 0.331676

z4 -0.368074 -0.848546 0.011493 0 0 0.177150 -0.453014 0 0 -0.038336 0 -0.210270 0.427987 0.070369 0.753768 -0.065387 0.412131 0 0.568933 -0.847236 -0.280045 0.785849 -0.038773 -0.128354 -0.018622 0.948386 0.261559 -0.641332 -0.098939 0.057766 0.145024 -0.204390 0.171790 -0.030961 0.277765 0.367739 0.180579 0.698396 -0.343174 0.591108 -0.499002 0.256098 -0.208942 -0.279121 -0.084172 0.192665 -0.396816 -0.108295 0.530446 -0.208101 0.147777 33


f 6 states 3K4 3K5 3K4 3K6 3K4 3L2 3K4 3L3 3K4 3M2 3K4 3M3 3K5 3K5 3K5 3K6 3K5 3L2 3K5 3L3 3K5 3M2 3K5 3M3 3K6 3K6 3K6 3L2 3K6 3L3 3K6 3M2 3K6 3M3 3L1 3L1 3L1 3M1 3L2 3L2 3L2 3L3 3L2 3M2 3L2 3M3 3L2 3N 3L3 3L3 3L3 3M2 3L3 3M3 3L3 3N 3M1 3M1 3M2 3M2 3M2 3M3 3M2 3N 3M2 3O 3M3 3M3 3M3 3N 3M3 3O 3N 3N 3N 3O 3O 3O

z1 -0.731578 6.906861 -4.675683 7.074006 15.564382 -5.416478 -20.064263 -2.112857 -4.876711 3.531811 2.575019 14.765282 1.775856 6.686792 1.814390 12.532349 1.901087 0 -13.076697 -6.126887 8.423311 -3.484951 14.019730 5.019960 -3.568643 -0.715097 -7.050951 8.583951 -8.391172 0 1.418367 7.099296 14.387495 -14.544698 9.200000 -17.023513 -14.218534 5.487175 -20.954496

z2 45.410096 -268.805396 86.290779 28.023946 243.536807 119.162519 -2.758976 30.966556 -298.483381 -63.513743 -97.058427 -123.278384 23.508950 -83.731867 158.711356 -73.266043 -22.813040 -269.583011 -137.305317 -91.903299 179.592535 134.170629 341.009325 -298.687629 -162.781703 -220.249858 16.922282 -180.262966 310.473358 513.959275 -121.624963 -342.541019 -100.712462 -191.978024 20.100000 167.803201 -121.647454 181.076779 -197.570964

z3 -0.112745 -0.454495 -0.066438 0.378572 -0.105196 -0.034195 0.336244 -0.689780 0.530701 0.043276 0.116596 0.542818 0.612452 -0.693989 -0.021221 -0.815528 0.312047 0.272306 0.462307 -0.210418 -0.825441 0.505142 0.985046 -0.044368 -0.992028 1.049170 0.775605 0.257952 0.339037 -0.296658 0.100289 -0.708137 0.762973 -0.810057 -0.339899 -0.092119 1.005351 0.069283 -0.181424

z4 0.522970 0.357755 0.771310 -0.078008 0.064025 0.833304 0.026374 0.494816 -0.119761 0.406337 -0.829436 0.099430 0.541818 0.026977 0.137565 0.242692 -0.372241 0.125680 -0.472468 -0.071409 -0.096855 0.730296 0.047098 0.157971 -1.135447 0.353381 0.402348 1.524702 -0.019560 -0.004890 -0.400879 0.186170 0.100612 0.736428 0.084615 1.309501 -0.948884 0.345347 0.293070

f 7 shell f 7 states 8S 6D 8S 4D4 8S 4D5 8S 4D6 6P 6P 6P 6F 6P 4P1 6P 4P2 6P 4D2

z1 47.623524 0 0 0 26.939933 -31.107555 -11.786221 5.584353 4.929503

z2 0 -581.969071 0 0 47.144883 62.215111 -290.726779 26.060315 -26.290683

z3 0 0 -1.541349 0 0 0.432049 0 0 1.095445

z4 0 0 0 1.583128 0.748331 0 0.374166 0.112815 0 34


f 7 states 6P 4D3 6P 4F2 6P 4F3 6P 4F4 6P 2P2 6P 2P3 6P 2P4 6P 2D3 6P 2D4 6P 2D5 6P 2F3 6P 2F4 6P 2F5 6P 2F6 6P 2F7 6D 6D 6D 6G 6D 4S2 6D 4D4 6D 4D5 6D 4D6 6D 4F5 6D 4G5 6D 4G6 6D 4G7 6D 2S1 6D 2S2 6D 2P5 6D 2D6 6D 2D7 6D 2F8 6D 2F9 6D 2F10 6D 2G7 6D 2G8 6D 2G9 6D 2G10 6F 6F 6F 6H 6F 4P1 6F 4P2 6F 4D2 6F 4D3 6F 4F2 6F 4F3 6F 4F4 6F 4G2 6F 4G3 6F 4G4 6F 4H1 6F 4H2

z1 26.698315 -3.888444 0 23.249516 0 0 0 0 0 0 0 0 0 0 0 21.555510 -31.839598 -14.418738 -21.768428 20.182029 14.737071 0 -17.587049 -28.324649 -31.068473 0 0 0 0 0 0 0 0 0 0 0 0 11.200000 -28.079886 -15.553778 12.896511 18.590320 -9.439280 -19.600000 8.991663 16.741565 -26.698315 -1.873499 24.127163 -14.039943 -11.838074

z2 -142.391011 331.813924 0 108.497742 -232.427408 64.674183 53.812173 140.529611 -162.269617 59.245253 -138.564065 0 269.260097 -66 35.874782 -266.014586 -214.917286 28.837476 258.414895 111.001158 -29.474141 353.185504 -16.935677 -155.785567 62.136946 237.587878 -101.469207 -295.496193 -210.229466 257.271396 303.578655 143.499129 0 -385.056582 0 -216.950291 252.285552 313.600000 56.159772 -228.122073 -68.781393 -99.148374 -280.031962 104.533333 266.752663 -89.288347 142.391011 -55.580482 -128.678203 -205.919164 -351.196200

z3 0.426993 -0.216025 0.588612 0 0 0.814081 0.326134 0.292770 0.163909 -0.059844 -0.288675 0.670786 0.094147 -0.187879 -0.416727 0.653197 -0.261310 0.582575 0.293987 0.042471 0.099240 0.475671 0.486884 0.524531 -0.209215 0 -0.614965 -0.298481 -0.560612 -0.563052 -0.474342 -1.032759 -0.634150 0.454816 -0.879408 0.362953 0.414105 0 -0.478634 -0.324037 -0.553638 -0.387298 0.238366 0 -0.544949 0.760980 -0.269680 -0.416333 -0.609272 0.358976 -0.538094

z4 0 0 0 -0.975504 -0.316228 -0.030151 -0.025087 0 0 -0.911465 0 0 0.260714 -1.200000 0.652269 -0.489898 0.723627 -0.873863 0.080178 -0.101929 1.076367 0.713506 -0.118431 -1.089410 0.434524 0 -0.141915 0.767523 -0.152894 -0.759620 0 0.200698 1.337987 0.225840 0 -0.303427 0.352847 0 0 0 0 0 -0.667424 0 -0.817424 0 0 1.008807 0 0 -0.248351 35


f 7 states 6F 4H3 6F 2P2 6F 2P3 6F 2P4 6F 2D3 6F 2D4 6F 2D5 6F 2F3 6F 2F4 6F 2F5 6F 2F6 6F 2F7 6F 2G3 6F 2G4 6F 2G5 6F 2G6 6F 2H3 6F 2H4 6F 2H5 6F 2H6 6F 2H7 6G 6G 6G 6I 6G 4D4 6G 4D5 6G 4D6 6G 4F5 6G 4G5 6G 4G6 6G 4G7 6G 4H4 6G 4H5 6G 4I4 6G 4I5 6G 2D6 6G 2D7 6G 2F8 6G 2F9 6G 2F10 6G 2G7 6G 2G8 6G 2G9 6G 2G10 6G 2H8 6G 2H9 6G 2I6 6G 2I7 6G 2I8 6G 2I9 6H 6H 6H 4F2

z1 21.919854 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -7.520155 -19.524530 -17.587049 -8.073767 -21.768096 -21.518597 1.230774 15.944412 -31.308901 -32.123823 -14.549227 25.164179 -21.786412 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -35.794972 -3.509986

z2 -116.905888 -43.817805 -229.782506 0 -66.246294 -157.770176 0 349.221356 150.288611 -298.291431 0 0 95.138996 -31.314077 -429.883705 0 -39.553059 -197.864151 -390.555160 0 0 15.040309 307.511348 -16.935677 -272.644902 43.536192 181.371029 -43.487356 538.430541 62.617802 -96.371469 29.098454 -274.009950 43.572823 -385.056582 63.335840 -435.981651 187.349940 262.289916 -15.646629 -329.006770 217.775173 59.587008 0 -280.399715 266.590037 327.436323 -250.165927 -212.521308 -62.641200 299.518784

z3 0.415149 0.547723 -0.295932 -0.439352 0.828079 0.108657 -0.592422 0 -0.248411 0.406761 -0.366587 -0.547968 0.576600 -0.189782 -0.325669 -0.621338 -0.606780 -0.245286 0.221906 -0.905748 0.391851 -1.291340 0.172565 -0.722102 -0.772664 0.751256 0.041402 -0.581199 -0.396442 -0.049414 -0.054081 0.673575 -1.087341 -0.916937 -0.006273 -0.661081 -0.330289 -0.189242 -0.088313 1.108303 0.066466 -1.004983 0.220693 -1.682591 -1.038517 -0.592422 0.055124 -0.484328 0.484379 0 0.239317

z4 0 0 0 0.695239 0 0.608480 -0.624973 0 0.745233 0 -0.628435 0.144519 0 -0.919714 0 0.491608 0 0.226418 0 0.318505 0.964555 -0.759612 0.238937 -0.118431 -0.771619 0.304449 -1.024695 0.124321 0.349746 0.778465 0.524165 -0.881771 -0.039105 -1.320389 0.225840 0.915343 0 0.262028 0.646335 -0.237070 -0.132932 -1.107506 -0.608062 -0.484102 -0.915057 0.074571 -0.763255 1.282902 -0.327718 0.563208 0 36


f 7 states 6H 4F3 6H 4F4 6H 4G2 6H 4G3 6H 4G4 6H 4H1 6H 4H2 6H 4H3 6H 4I2 6H 4I3 6H 4K1 6H 4K2 6H 2F3 6H 2F4 6H 2F5 6H 2F6 6H 2F7 6H 2G3 6H 2G4 6H 2G5 6H 2G6 6H 2H3 6H 2H4 6H 2H5 6H 2H6 6H 2H7 6H 2I2 6H 2I3 6H 2I4 6H 2I5 6H 2K2 6H 2K3 6H 2K4 6H 2K5 6I 6I 6I 4G5 6I 4G6 6I 4G7 6I 4H4 6I 4H5 6I 4I4 6I 4I5 6I 4K3 6I 4L2 6I 4L3 6I 2G7 6I 2G8 6I 2G9 6I 2G10 6I 2H8 6I 2H9

z1 -28.691462 -19.078784 -16.099689 -24.854778 -7.274613 15.660300 9.286549 31.166569 15.674821 27.149586 34.779304 -17.924843 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -74.560531 25.164179 -20.575714 14.362024 -32.994545 36.424991 -4.576062 -9.983788 26.084478 -20.697826 40.347491 0 0 0 0 0 0

z2 153.021131 -89.034325 85.865010 132.558817 -33.948196 386.287403 -49.528264 145.443987 -83.599043 126.698066 -185.489622 -83.649268 -125.077754 174.383763 -220.957512 -4.431294 52.990565 -458.967786 151.064792 -84.249629 79.485848 308.825283 -56.442695 360.950020 -75.366604 32.605598 446.855681 314.428052 92.163984 48.854887 -211.385043 -207.593352 -118.154535 11.868849 -55.920398 -274.009950 349.787135 -28.724048 -401.433631 -72.849983 -308.121489 19.967576 599.942997 351.863042 -80.694981 266.590037 219.650963 143.270881 154.705372 213.864443 108

z3 -0.434719 0 -0.589509 0.627646 0 0 -1.055290 0 -0.949989 0 0.043913 0 0.319801 0.544949 0.869151 -0.188740 0.149426 -0.157553 1.015682 0.898466 0.247557 0 -0.192418 -0.574456 -0.456767 -0.417176 -0.253895 0.879519 -0.270822 0.641529 1.100964 -0.580681 0.583479 0.155854 0.451882 1.242676 -0.294434 -0.193428 -0.819309 -0.899383 0.203381 0.874002 -0.636742 0.156802 1.222651 0.296211 -0.437576 -0.872831 -0.429737 -0.216025 0.866667

z4 0 0.800508 0 0 -1.322657 0.281604 0 0.255525 0 1.223524 0 0.752091 0 0 -0.213945 -1.083205 -0.881117 0 0 0.353495 0.852296 -0.237999 0 -0.068292 0.909631 0.687411 0 -0.327001 -0.230459 0.706061 0 -0.201005 0.201974 -1.377782 -0.808174 -0.039105 0.143886 -1.053529 0.679375 0.547177 0.132268 0.760226 -0.668833 0.144740 -0.564301 0.074571 -0.512007 -1.302463 1.215007 0.770438 -0.632168 37


f 7 states 6I 2I6 6I 2I7 6I 2I8 6I 2I9 6I 2K6 6I 2K7 6I 2L4 6I 2L5 4S1 4D1 4S1 2D1 4S1 2D2 4S2 4D4 4S2 4D5 4S2 4D6 4S2 2D6 4S2 2D7 4P1 4P1 4P1 4P2 4P1 4D2 4P1 4D3 4P1 4F2 4P1 4F3 4P1 4F4 4P1 2P2 4P1 2P3 4P1 2P4 4P1 2D3 4P1 2D4 4P1 2D5 4P1 2F3 4P1 2F4 4P1 2F5 4P1 2F6 4P1 2F7 4P2 4P2 4P2 4D2 4P2 4D3 4P2 4F2 4P2 4F3 4P2 4F4 4P2 2P2 4P2 2P3 4P2 2P4 4P2 2D3 4P2 2D4 4P2 2D5 4P2 2F3 4P2 2F4 4P2 2F5 4P2 2F6 4P2 2F7

z1 0 0 0 0 0 0 0 0 -9.797959 6.480741 0 -1.373213 -10.474459 -15.297059 1.224745 -6.244998 -1.469694 -1.624808 -6.215189 11.652100 1.131371 0 -6.764614 6.777721 1.015505 -3.661455 -0.597614 -4.140393 -4.031129 -7.071068 0 4.227884 4.490731 -2.440970 -14.207041 11.099550 -8.197561 3.752333 17.527122 2.039608 -0.642262 -5.695064 2.870322 -2.774887 0 -2.673948 0 0.934199 -0.764853 1.649426 6.329429

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z3 -0.387831 -1.443484 -0.964987 0.297282 0.474124 -0.889640 0.851995 0 0 0 0.564076 0.332900 -0.376922 0 -0.074227 0.189242 0 -0.738549 0.079682 -0.140584 0.298556 0.042815 -0.085412 0 -0.018464 0.288478 0.458171 0.183320 -0.052934 0.333912 0.091282 -0.002135 -0.166186 -0.368611 -0.267217 -0.168175 0.407118 0.241627 0.178886 0.458397 -0.233550 -0.016701 -0.113742 -0.210219 0.484008 -0.435836 0.302034 0.119527 -0.207952 -0.217959 0.189942

z4 -0.252226 0.016656 0.979833 0.806611 -0.656479 -0.189509 0.329804 -1.813028 0 0 0 0.436931 0 -0.410061 -0.222681 0.524056 -0.789280 0.008206 0 0 0 0 -0.070957 0.473365 -0.077958 0.003414 0 0 0.124035 0 0 0.674096 0.163299 -0.088763 -0.546805 -0.432450 -0.106462 0 -0.398344 -0.192550 -0.012975 0.273403 0.075142 0.432450 -0.022698 -0.003400 0 -0.084927 0.096275 -0.568459 -0.903763 38


f 7 states 4D1 4D1 4D1 4F1 4D1 4G1 4D1 2P1 4D1 2D1 4D1 2D2 4D1 2F2 4D1 2G1 4D1 2G2 4D2 4D2 4D2 4D3 4D2 4F2 4D2 4F3 4D2 4F4 4D2 4G2 4D2 4G3 4D2 4G4 4D2 2P2 4D2 2P3 4D2 2P4 4D2 2D3 4D2 2D4 4D2 2D5 4D2 2F3 4D2 2F4 4D2 2F5 4D2 2F6 4D2 2F7 4D2 2G3 4D2 2G4 4D2 2G5 4D2 2G6 4D3 4D3 4D3 4F2 4D3 4F3 4D3 4F4 4D3 4G2 4D3 4G3 4D3 4G4 4D3 2P2 4D3 2P3 4D3 2P4 4D3 2D3 4D3 2D4 4D3 2D5 4D3 2F3 4D3 2F4 4D3 2F5 4D3 2F6 4D3 2F7 4D3 2G3

z1 18.173764 13.856406 17.369925 2.121320 6.768022 3.481731 8.124038 -1.641304 -4.886466 0.763604 -7.444253 5.859736 -5.789975 5.390173 -7.444253 10.447704 0 -1.889822 -2.774887 -4.287857 6.910612 4.364580 0 4.507489 -2.160247 1.347543 4.684320 7.002041 5.583190 -6.125509 0 0 -0.763604 -10.985705 8.552360 5.971360 6.719711 -9.430839 -19.321836 -3.070598 -3.074085 -4.750188 -0.930532 -2.800174 -1.331438 1.716516 3.190896 -5.038335 1.405462 -3.555303 3.646207

z2 25.122557 -166.276878 95.534586 101.823376 -33.739095 -59.189423 24.372115 200.239041 83.069924 228.699263 -171.217830 73.922825 40.529824 123.973986 -40.943394 240.297192 0 -60.474316 -22.199099 137.211411 -13.821224 -161.489477 0 36.059915 -49.685679 10.780347 -149.898251 -224.065297 -11.166380 226.643849 0 0 100.032065 154.715345 145.924638 15.426014 42.303637 -93.129532 62.795966 16.376522 -63.872660 59.641249 34.429672 -117.477074 -43.937456 234.018403 57.436131 66.369181 -63.894485 57.208055 -134.909657

z3 0.356348 0.866025 -0.142556 0.707107 0.168359 -0.334105 0.061546 0.389602 -0.135735 -0.152721 0.269447 0.535264 0.307044 0.122504 0.061096 0.483690 0.396392 0.314970 -0.084087 -0.259870 -0.381802 -0.209078 0.819443 -0.352148 0.114559 0.283290 -0.492386 -0.039784 0.152739 -0.005156 -0.123873 0.303858 0.217511 0.277417 0 -0.233727 -0.457391 0.119076 -0.341548 -0.338593 -0.246686 -0.194592 -0.269447 0.046374 0.161386 -0.086693 0.580163 0.043353 -0.086818 0.127325 0.457391

z4 0.534522 0 -0.789542 0 -0.202031 0.105507 -0.738549 0.298419 1.127646 -0.229081 0.075194 0 -0.526361 0.113081 0.338375 0.803670 0 0 -0.864900 0 -0.229081 -0.044087 0 0 0.308607 -0.226161 0 0 0.338375 -0.471193 0 0 -0.402627 0.194192 -0.016198 0.961589 0.569232 0.140144 0.439133 0 0.066539 -0.645907 0.009399 0.686723 -0.009311 0.121370 0.027627 0.600993 0.573324 0.026369 0.071154 39


f 7 states 4D3 2G4 4D3 2G5 4D3 2G6 4D4 4D4 4D4 4D5 4D4 4D6 4D4 4F5 4D4 4G5 4D4 4G6 4D4 4G7 4D4 2S1 4D4 2S2 4D4 2P5 4D4 2D6 4D4 2D7 4D4 2F8 4D4 2F9 4D4 2F10 4D4 2G7 4D4 2G8 4D4 2G9 4D4 2G10 4D5 4D5 4D5 4D6 4D5 4F5 4D5 4G5 4D5 4G6 4D5 4G7 4D5 2S1 4D5 2S2 4D5 2P5 4D5 2D6 4D5 2D7 4D5 2F8 4D5 2F9 4D5 2F10 4D5 2G7 4D5 2G8 4D5 2G9 4D5 2G10 4D6 4D6 4D6 4F5 4D6 4G5 4D6 4G6 4D6 4G7 4D6 2S1 4D6 2S2 4D6 2P5 4D6 2D6 4D6 2D7 4D6 2F8

z1 -5.026654 7.849496 -7.405657 -12.305471 -5.285769 1.403531 16.818357 0.806461 7.418360 -2.958902 -5.291503 2.259899 -6.581223 4.682182 -5.729889 6.761234 3.195980 0 8.575892 0 4.831867 -5.618846 -0.763604 -1.784285 8.552360 -8.753975 -9.430839 3.761603 0 5.171350 -2.509980 4.714286 4.734804 -3.988824 -8.684654 -5.332682 -3.824628 7.395100 -3.052140 -3.482284 18.841918 -12.489996 -2.073152 -19.070225 7.606388 0 -1.161895 -6.283908 -1.251784 -6.219210 0

z2 -130.693002 126.195739 101.210640 -277.499256 -119.170075 155.090124 0 189.611339 167.250306 -326.958690 232.826115 -99.435550 0 132.973979 252.115134 0 0 0 -103.463984 0 -212.602148 247.229217 139.739449 21.411422 -78.574805 47.673672 166.218533 -45.139240 0 170.654538 -82.829343 61.285714 156.248527 307.139423 124.784765 -175.978514 -88.493990 155.297094 -100.720634 -114.915357 197.840134 149.879952 -229.083295 228.842696 79.867077 0 13.942740 -301.627585 152.717702 74.630518 0

z3 0.025387 0.170774 -0.498697 -0.315623 0.370101 0.056708 0.208106 0.126264 0.440231 -0.119552 0 0.451980 0.219374 0.162316 0.413825 -0.813461 -0.330493 0.466080 -0.234377 0.411305 -0.266759 -0.304354 0.652534 -1.176006 0 -0.277968 0.357229 0.035621 -0.462481 -0.071824 0 0.192641 -0.629100 0 0 0 1.101163 -0.313732 -0.676121 -0.137091 0 0.047311 0.429289 0.409336 0 0 0.528134 -0.095211 -0.012644 -0.349645 -0.274595

z4 -0.239030 0.274458 0.431565 -0.421891 -0.058245 -0.538184 0.407718 0.623174 -0.622520 -0.217262 0 -0.037928 -0.820516 -0.415437 -0.203017 0 -0.214555 0.357592 0.613642 0 -0.081094 0.094302 1.207882 0 0.048593 -0.440925 -0.420431 0 0 -0.542449 -0.097791 0.012987 0.359122 -0.282038 -0.883275 -0.293005 0.098313 -0.403369 -0.431571 -0.334054 0.172412 0 -0.152224 0 -1.356384 -0.172733 -0.090279 0 0.274284 0.302148 0 40


f 7 states 4D6 2F9 4D6 2F10 4D6 2G7 4D6 2G8 4D6 2G9 4D6 2G10 4F1 4F1 4F1 4G1 4F1 2P1 4F1 2D1 4F1 2D2 4F1 2F2 4F1 2G1 4F1 2G2 4F1 2H1 4F1 2H2 4F2 4F2 4F2 4F3 4F2 4F4 4F2 4G2 4F2 4G3 4F2 4G4 4F2 4H1 4F2 4H2 4F2 4H3 4F2 2P2 4F2 2P3 4F2 2P4 4F2 2D3 4F2 2D4 4F2 2D5 4F2 2F3 4F2 2F4 4F2 2F5 4F2 2F6 4F2 2F7 4F2 2G3 4F2 2G4 4F2 2G5 4F2 2G6 4F2 2H3 4F2 2H4 4F2 2H5 4F2 2H6 4F2 2H7 4F3 4F3 4F3 4F4 4F3 4G2 4F3 4G3 4F3 4G4 4F3 4H1

z1 -1.643168 -10.954451 1.849008 0 -2.484236 2.888850 -9.165151 19.899749 -7.348469 5.237229 5.641049 -5.373546 -7.521398 1.119630 -6.633250 7.074602 -14.867912 -10.464756 4.871079 8.415405 2.180432 7.019972 1.021256 13.777491 6.377739 4.472136 0 0 4.507489 -8.051176 0 0 7.669384 0 0 0 -6.473389 -1.597990 0 0 4.036867 -10.097213 0 0 0 -9.165151 -5.688194 -3.023716 11.670068 -2.732520 -12.521981

z2 -78.872048 131.453414 -225.578995 0 29.810832 -34.666200 -256.624239 -238.796985 235.151015 251.387010 73.333631 -69.856102 -361.027106 14.555191 212.263987 91.969832 -36.117485 147.378642 -188.348375 106.163575 -30.707757 -271.438898 14.978415 -194.032999 -246.605910 -119.256959 125.077754 0 252.419404 -18.786076 0 -190.092029 17.895228 162.369289 0 0 -362.509770 -3.728643 233.999050 0 -107.649790 -23.560163 212.591302 0 0 -17.311953 -5.214178 -216.951608 81.690473 -4.781910 205.917016

z3 -0.859966 -0.285272 -0.095719 0.392724 0.420182 0.325239 0 -0.603023 0.204124 -0.163663 0.284901 -0.651339 -0.113961 -0.497613 -0.226134 -0.643146 0 0.634228 -0.332119 -0.372710 0.484541 0.265908 -0.330748 0.626250 -0.181186 0.012423 -0.543662 -0.209259 -0.098601 0.051752 -0.282165 0 -0.118316 0.747268 -0.174602 -0.260992 -0.068657 -0.090391 -0.598293 -0.295937 -0.013762 -0.116827 0.407668 -0.431398 0.186634 0.046289 0.280100 0.213798 0.082516 0.169057 0.521749

z4 0 0 0.077581 0 1.042337 -1.212105 0 0 0 0 -0.398862 -0.488504 0 0.602878 0 -0.148418 0 -0.237835 0 0 0.293520 0 0 -0.072260 0 0 0 -0.378440 0 0.238060 0.340192 0 0.291563 0 0.342077 -0.078666 0 -0.359827 0 -0.267597 0 0.088583 0 -0.173372 -0.525037 0.277732 0.228721 -0.755929 -0.081609 0.807336 0 41


f 7 states 4F3 4H2 4F3 4H3 4F3 2P2 4F3 2P3 4F3 2P4 4F3 2D3 4F3 2D4 4F3 2D5 4F3 2F3 4F3 2F4 4F3 2F5 4F3 2F6 4F3 2F7 4F3 2G3 4F3 2G4 4F3 2G5 4F3 2G6 4F3 2H3 4F3 2H4 4F3 2H5 4F3 2H6 4F3 2H7 4F4 4F4 4F4 4G2 4F4 4G3 4F4 4G4 4F4 4H1 4F4 4H2 4F4 4H3 4F4 2P2 4F4 2P3 4F4 2P4 4F4 2D3 4F4 2D4 4F4 2D5 4F4 2F3 4F4 2F4 4F4 2F5 4F4 2F6 4F4 2F7 4F4 2G3 4F4 2G4 4F4 2G5 4F4 2G6 4F4 2H3 4F4 2H4 4F4 2H5 4F4 2H6 4F4 2H7 4F5 4F5 4F5 4G5

z1 0 3.723797 0 -7.120393 5.924525 5.066228 -3.190896 6.657190 1.635118 -6.513389 4.088390 1.338814 -0.307883 3.307189 6.966587 2.134781 -5.236590 -3.299832 -1.715055 -2.327373 -6.785401 0.587109 11.812862 -7.037316 -5.014265 0 5.551109 -2.880329 -13.333333 -2.673948 -0.764853 7.000357 1.347543 -4.774119 -2.288310 0 -3.335000 5.499091 -6.327717 7.408104 1.759329 -4.008919 4.769696 -4.500000 2.194269 3.838052 -9 -2.915476 -8.829187 -9.165151 -19.908361

z2 77.091416 -1.241266 0 -114.474015 -80.968512 -187.450438 -57.436131 -99.857854 222.921097 -199.743944 -34.543931 -11.431416 45.258735 -122.365998 195.064434 -23.482596 127.423690 17.599102 -76.605796 8.533702 61.068609 36.987867 -87.102883 -161.858257 -12.953519 -63.595947 -43.483690 40.564636 135.555556 -297.699588 49.120555 96.307944 -70.072253 185.129708 -109.838890 162.369289 139.564680 32.960600 -10.354446 109.534104 -91.485102 155.456956 -120.832299 -6 244.295241 -96.974769 33.555556 -52.478567 -158.925368 247.459088 -127.062189

z3 0.182825 -0.606528 0.541575 -0.305212 0.109713 0.307044 0.580163 0.195009 -0.198196 0.009869 -0.123891 0.460835 -0.500698 -0.213798 0.334255 0.280325 0.229211 -0.224989 -0.233871 0.282106 -0.205618 0.373615 -0.055546 -0.159939 0.196265 -0.385430 -0.788510 -0.360041 0.196970 -0.027010 0.265252 -0.159278 -0.153130 0.435618 0.221512 -0.415149 0.211309 -0.003472 -0.487120 -0.201995 -0.199924 -1.023152 -0.277028 0.099747 -0.249349 0.090718 0.522727 0.228232 -0.022296 0.138866 0.331215

z4 -0.210952 0.234365 0 -0.248965 -0.345252 0.065795 -0.027627 -0.152076 -0.148647 -0.473701 0.142951 0.296474 0.706910 -0.094491 0.139193 0.504585 0.187980 0 0.359802 0.146478 -0.534607 -0.288765 -0.730648 -0.147636 -0.043831 0.266836 0.058228 0.981930 0.475524 0.112194 0.096275 0.467778 0.113081 -0.205011 0.056897 0 0.048764 0.365324 -0.208287 0.131157 0.147636 -0.009345 -0.133418 -1.160839 -0.092067 0.209348 -0.237762 -0.004531 -0.013721 -0.833196 0.585540 42


f 7 states 4F5 4G6 4F5 4G7 4F5 4H4 4F5 4H5 4F5 2P5 4F5 2D6 4F5 2D7 4F5 2F8 4F5 2F9 4F5 2F10 4F5 2G7 4F5 2G8 4F5 2G9 4F5 2G10 4F5 2H8 4F5 2H9 4G1 4G1 4G1 4I1 4G1 2D1 4G1 2D2 4G1 2F2 4G1 2G1 4G1 2G2 4G1 2H1 4G1 2H2 4G1 2I1 4G2 4G2 4G2 4G3 4G2 4G4 4G2 4H1 4G2 4H2 4G2 4H3 4G2 4I2 4G2 4I3 4G2 2D3 4G2 2D4 4G2 2D5 4G2 2F3 4G2 2F4 4G2 2F5 4G2 2F6 4G2 2F7 4G2 2G3 4G2 2G4 4G2 2G5 4G2 2G6 4G2 2H3 4G2 2H4 4G2 2H5 4G2 2H6 4G2 2H7

z1 11.670068 3.723797 0 16.395121 -6.708204 -3 2.549510 -3.799671 6.531175 -6.531175 2.480607 3.555805 2.565395 -3.977636 -3.420526 -7.389181 -0.683763 -21.303009 -1.641304 -6.642857 3.181981 -1.292191 13.118592 -6.928203 -3.694591 -7.045308 -1.074485 -13.270366 -12.358288 -20.298722 10.532489 0 0 12.299298 5.583190 -0.350022 5.325752 -6.473389 -6.486875 1.759329 -3.873319 0.609449 -0.390722 0.691238 -3.089572 -2.526226 6.172134 -7.438332 0 7.107340 3.074824

z2 -245.071418 -44.685568 90.498619 -196.741455 -140.872283 -99 84.133822 292.574670 -71.842928 -215.528783 -18.669829 -45.807136 84.658025 -131.261999 23.943684 -243.842982 8.205162 -37.280265 200.239041 7.928571 83.792154 31.012595 -15.657674 -332.553755 99.753947 14.090616 -41.807251 -83.542988 -284.240615 212.355856 281.744092 0 -239.658848 282.883850 -11.166380 96.711829 -170.424070 -51.787110 130.019535 14.074631 123.946197 -19.502381 0.781444 -190.990560 -24.716575 80.839234 197.508288 245.745659 0 -227.434889 -98.394383

z3 0.247547 -0.705265 0.548476 1.242055 0.142295 0.651515 0.347660 0 0.118749 -0.197914 0.305955 -0.082398 0.749560 0.504459 -0.362783 -0.223915 -0.704484 0.094142 -0.524305 -0.158009 0.342840 -0.332837 0.102589 -0.380526 -0.335872 -0.836186 0.301922 -0.365575 0.205971 0.042880 0.199479 0.280100 -0.040347 0.170824 0.152739 -0.223563 -0.181560 -0.245204 0.227910 -0.119954 -0.018533 0.844918 0.754804 0.003897 -0.285551 0.287071 -0.169500 -0.225404 0.360899 0.100957 -0.323206

z4 0.244827 0 0.632857 0 0.365902 0.090909 0.873608 0.345425 -0.210094 -0.045673 -0.130558 -0.741585 -0.534873 0.169984 -0.215278 0.775089 0.828804 -0.260701 0.298419 0.798701 1.060660 -0.313259 -0.362021 0 -0.542562 0.098536 -0.355202 -0.258011 -0.074899 0 -0.386682 -0.272761 0.111729 -0.430045 0.338375 -0.333742 0 0 -0.443203 -0.295272 0 0 -0.355202 0.151273 0.149797 0 0 0.226713 0.545521 0 0 43


f 7 states 4G2 2I2 4G2 2I3 4G2 2I4 4G2 2I5 4G3 4G3 4G3 4G4 4G3 4H1 4G3 4H2 4G3 4H3 4G3 4I2 4G3 4I3 4G3 2D3 4G3 2D4 4G3 2D5 4G3 2F3 4G3 2F4 4G3 2F5 4G3 2F6 4G3 2F7 4G3 2G3 4G3 2G4 4G3 2G5 4G3 2G6 4G3 2H3 4G3 2H4 4G3 2H5 4G3 2H6 4G3 2H7 4G3 2I2 4G3 2I3 4G3 2I4 4G3 2I5 4G4 4G4 4G4 4H1 4G4 4H2 4G4 4H3 4G4 4I2 4G4 4I3 4G4 2D3 4G4 2D4 4G4 2D5 4G4 2F3 4G4 2F4 4G4 2F5 4G4 2F6 4G4 2F7 4G4 2G3 4G4 2G4 4G4 2G5 4G4 2G6 4G4 2H3

z1 -7.988628 3.074824 7.456053 -3.105420 8.094457 -7.631514 10.847515 7.504665 4.052982 0 -11.684748 1.305963 -5.026654 -1.581139 0.340693 -6.966587 -4.230786 -6.530405 -1.972210 -7.200682 0.946868 3.100302 -7.125000 2.858571 2.400000 -3.546360 -5.275166 9.219996 -5.692100 4.746929 -0.885438 0.368782 -10.849047 -2.116601 12.237647 -4.406056 8.250620 -20.641823 0 -1.029857 6.875517 0 1.893370 -4.769696 0.092113 7.159842 3.089572 -0.406761 -3.669531 -3.261344 -0.836660

z2 15.977257 24.598596 -238.593698 99.373455 231.300898 24.802419 -178.381350 146.028277 12.158947 227.683992 37.975431 -48.320631 -130.693002 11.067972 46.447754 -195.064434 55.731470 107.082907 -19.848758 266.425225 -38.241266 49.843323 81.375000 -15.245712 32.533333 50.155658 43.256365 -176.823099 210.607692 76.316010 59.324329 -24.708379 61.584296 16.580042 -5.778889 -46.263593 189.764256 132.584016 0 161.687596 55.004132 -233.999050 -75.880428 120.832299 80.875422 90.324157 -160.657739 63.861484 -65.253826 -94.578971 -93.148150

z3 -0.100867 -0.236824 0.593095 0.635200 0.066206 -0.838310 -0.205445 0.274792 0.086996 -0.587736 -0.472111 -0.483690 0.025387 0.535032 0.151419 0.299071 0.501743 -0.290081 -0.136159 0.365575 0.014115 0.224031 0.488636 -0.628019 -0.153535 0.347983 -0.245109 -0.454591 0.587736 -0.336564 0.078258 -0.381820 0.048347 0.815105 -0.381139 -0.194712 -0.152789 -0.268648 0.495490 0.254864 0.017362 -0.332385 -0.307470 -0.228849 -0.056291 -0.307367 0.257464 -0.456065 0.003022 -0.382961 0.257759

z4 0.111729 0.860091 0 0 -0.179164 -0.609276 0 0.321441 -0.902912 -0.106146 0.265562 0.100459 -0.239030 -0.099512 -0.183450 -0.139193 0.027394 -0.219533 -0.523451 -0.032251 0.305584 -0.380797 0.339685 0 -0.548252 -0.564320 0.278883 0.040217 -0.013268 0.165977 0.910205 -0.379097 0.763881 0.096209 0.263865 -0.200275 -0.288483 -0.805020 0 0.093623 -1.153933 0 -0.172125 0.133418 0.452192 0.138652 0.074899 -0.129898 -0.381941 0.664432 -0.152120 44


f 7 states 4G4 2H4 4G4 2H5 4G4 2H6 4G4 2H7 4G4 2I2 4G4 2I3 4G4 2I4 4G4 2I5 4G5 4G5 4G5 4G6 4G5 4G7 4G5 4H4 4G5 4H5 4G5 4I4 4G5 4I5 4G5 2D6 4G5 2D7 4G5 2F8 4G5 2F9 4G5 2F10 4G5 2G7 4G5 2G8 4G5 2G9 4G5 2G10 4G5 2H8 4G5 2H9 4G5 2I6 4G5 2I7 4G5 2I8 4G5 2I9 4G6 4G6 4G6 4G7 4G6 4H4 4G6 4H5 4G6 4I4 4G6 4I5 4G6 2D6 4G6 2D7 4G6 2F8 4G6 2F9 4G6 2F10 4G6 2G7 4G6 2G8 4G6 2G9 4G6 2G10 4G6 2H8 4G6 2H9 4G6 2I6 4G6 2I7 4G6 2I8 4G6 2I9

z1 5.000727 3.855299 -8.028595 -5.259695 -2.062655 -8.137642 1.993900 5.612713 2.070826 17.287715 -2.981800 12.237647 -1.385641 13.048093 -2.074896 8.575892 -1.410601 -9.710083 4.172615 -5.841661 0.348478 -7.327563 -4.850239 -1.327108 0 6.244998 -5.937432 7.292587 5.571638 4.733226 8.094457 11.771429 7.504665 11.046568 27.434285 -10.179344 -6.616306 2.162607 -0.791698 -7.292670 1.970300 7.553036 2.920830 1.577588 4.788100 -6.204837 6.510504 -0.873863 4.472136 -8.541936 7.278885

z2 -234.309436 -161.922574 -112.400326 -45.054748 107.258058 -94.872993 -23.239246 -3.207264 68.630315 -94.147959 -329.488909 189.683526 -153.113291 275.474532 -229.276045 -103.463984 62.066455 0 0 257.033072 -34.499335 0 213.410498 58.392759 0 -274.779912 -130.623505 0 -245.152074 -208.261932 35.028225 -141.257143 -47.842241 -132.558817 121.494691 122.152130 -86.011983 71.366044 60.960746 104.784153 65.019910 174.761627 61.337438 52.060405 158.007288 93.072552 214.846643 67.287443 93.914855 -281.883886 240.203212

z3 -0.493045 0.097356 0.283839 -0.499706 -0.190987 0.504217 -0.374681 0.275371 0.623971 -0.332728 -0.028237 0.316757 0.384900 -0.083383 -0.523964 0.104509 0.485874 -0.566422 0.265530 0.064907 -0.320890 0.528473 0.738631 -0.162202 -0.347489 0.763278 0.369440 0.438292 0.355966 -0.356003 0.198617 0.885714 0.824376 -0.334744 -0.706393 0.106035 -0.568067 0.478395 0 -0.569922 -0.526499 0.429347 -0.371742 0.077496 0.214147 -0.131618 -0.127657 -0.008827 -0.047432 -0.494397 0.130584

z4 0.056256 0.100138 -0.067373 -0.803632 0.288483 0.402510 0.268289 -0.201856 -0.654163 0.199855 -0.389233 0.299523 0.440886 0.205768 0.660194 0.613642 0.244636 0 -0.280120 0.172740 -0.644157 0.142110 -0.295993 -0.162511 0.517527 -0.244559 0.202620 0.815954 0.342870 -0.087586 0.537493 0 -0.964323 0 0.082221 0 0.138804 -0.226847 0.426299 -0.040261 -0.180908 -0.044562 0.559656 0.176343 -0.796167 0.829378 -0.168721 -0.018333 -0.243935 -0.709638 -0.733541 45


f 7 states 4G7 4G7 4G7 4H4 4G7 4H5 4G7 4I4 4G7 4I5 4G7 2D6 4G7 2D7 4G7 2F8 4G7 2F9 4G7 2F10 4G7 2G7 4G7 2G8 4G7 2G9 4G7 2G10 4G7 2H8 4G7 2H9 4G7 2I6 4G7 2I7 4G7 2I8 4G7 2I9 4H1 4H1 4H1 4H2 4H1 4H3 4H1 4I2 4H1 4I3 4H1 4K1 4H1 4K2 4H1 2F3 4H1 2F4 4H1 2F5 4H1 2F6 4H1 2F7 4H1 2G3 4H1 2G4 4H1 2G5 4H1 2G6 4H1 2H3 4H1 2H4 4H1 2H5 4H1 2H6 4H1 2H7 4H1 2I2 4H1 2I3 4H1 2I4 4H1 2I5 4H1 2K2 4H1 2K3 4H1 2K4 4H1 2K5 4H2 4H2 4H2 4H3

z1 0.091168 -2.993326 -4.406056 1.367812 -18.778211 2.638993 -8.625819 0 -3.061862 -5.837951 2.659416 -4.660033 9.681688 -7.509320 5.656854 -9.470656 -1.219928 4.637789 -0.272564 16.333125 1.952776 4.052982 -9.068137 -19.763041 -7.899367 15.178933 5.215362 -6.382847 4.449492 -3.469443 0.301511 -3.605551 1.951800 3.854496 -1.322876 -5.408327 -9.005528 -1.440165 5.667586 5.128048 -2.218530 -1.900292 4.937104 -6.270965 -3.324154 -5.393599 -3.259601 8.039398 -0.807573 -11.716655 -20.118894

z2 0.957269 35.919911 -46.263593 151.143203 -197.171217 -321.957184 103.509834 0 -146.969385 70.055407 -324.448699 -223.681592 -116.180259 90.111842 271.529004 113.647877 148.831157 222.613893 3.270772 -195.997499 126.821940 -66.649045 71.033741 206.751810 61.878375 -249.609117 -40.853668 -34.041853 189.844996 2.312962 15.075567 -180.277564 156.144012 164.458515 0.881917 -270.416346 66.040540 -61.447023 -3.778390 256.402394 -110.926496 -152.023390 -3.291403 -313.548242 -166.207701 -230.126886 2.173067 401.969890 -40.378643 -283.169182 91.075856

z3 0 -0.504557 0 -0.110530 0 0.026656 0.371172 0.491211 0.083505 0.371753 0.006296 0.296548 -1.007390 -0.073119 -0.859242 0.513804 0.024645 -1.121610 0.275662 -0.136015 0 0.460566 0.521157 -0.069102 -0.797916 0.562183 0.526804 -0.369915 -0.444949 -0.019713 -0.166948 0.132173 -0.246563 -0.011680 -0.020378 0.218974 0 -0.530242 0.013029 -0.404028 -0.369008 -0.397334 -0.019948 -0.239552 0.567457 -0.374555 0.013170 0.516109 0.137858 -0.081935 0.260582

z4 -0.301876 0 -1.432739 0.526765 0.026618 0.110727 -0.434307 0 0 -1.223032 0.198371 0 -0.180327 -0.193909 0 -0.435825 -0.268464 0 -0.388833 0.781712 -0.594026 0 0.018587 0 0.088998 0 0.054707 0 0 -0.553170 0.147406 0.119905 0 0 0.913987 -0.115983 0.356263 0 -0.176574 -0.123785 -0.093545 0 -0.845484 0.031361 -0.096083 0 -0.519713 -0.027485 0.187492 0.195383 0.267768 46


f 7 states 4H2 4I2 4H2 4I3 4H2 4K1 4H2 4K2 4H2 2F3 4H2 2F4 4H2 2F5 4H2 2F6 4H2 2F7 4H2 2G3 4H2 2G4 4H2 2G5 4H2 2G6 4H2 2H3 4H2 2H4 4H2 2H5 4H2 2H6 4H2 2H7 4H2 2I2 4H2 2I3 4H2 2I4 4H2 2I5 4H2 2K2 4H2 2K3 4H2 2K4 4H2 2K5 4H3 4H3 4H3 4I2 4H3 4I3 4H3 4K1 4H3 4K2 4H3 2F3 4H3 2F4 4H3 2F5 4H3 2F6 4H3 2F7 4H3 2G3 4H3 2G4 4H3 2G5 4H3 2G6 4H3 2H3 4H3 2H4 4H3 2H5 4H3 2H6 4H3 2H7 4H3 2I2 4H3 2I3 4H3 2I4 4H3 2I5 4H3 2K2 4H3 2K3

z1 -15.776213 7.026481 0 -15.463534 -2.152733 -1.715055 -1.170134 6.914938 -5.518945 -0.329140 -2.400000 7.521054 7.015608 1.068055 -2.519350 6.246592 -3.547751 -0.745499 -4.676520 -0.292770 1.250828 -4.041004 -3.198401 9.664709 4.767359 -0.478890 -13.369004 -8.033264 -16.443844 -12.152872 -12.526894 0 1.587833 -9 -3.640346 -1.501111 0 -3.456395 -3.855299 7.794229 -3.584496 2.213865 -5.576677 6.295444 -3.102509 2.008316 -6.482669 -8.270611 2.874369 -5.182002 -1.565862

z2 -254.673149 -56.992564 143.767551 5.154511 -293.489262 -76.605796 113.202938 -56.539785 107.853274 12.178191 -32.533333 -22.903096 -110.846600 -5.696291 4.042346 209.112111 74.502775 -33.810587 173.031248 -149.215121 32.825791 63.769016 -142.861920 -35.437265 -49.262705 -68.481307 89.952865 -184.765076 105.620074 4.050957 35.492867 212.591302 -73.304935 33.555556 17.323027 -82.445618 0 132.207110 161.922574 95.262794 -399.073881 68.675926 -53.688817 123.171726 8.099679 -104.432434 -75.578436 -108.339522 160.325943 239.235768 -143.015375

z3 0.583925 -0.544138 -0.023677 -0.966471 -0.195703 0.311828 0.057279 -0.571794 -0.177949 0.199479 -0.270707 0.288429 0.075589 -0.801041 -0.017469 0.175770 -0.376277 -0.042746 -0.583925 -0.295727 -0.068295 -0.398227 0.270572 -0.095183 -0.035448 -0.744336 0.227596 0.320888 0.344976 0.404073 -0.168712 -0.226482 -0.138334 -0.498106 0.099219 -0.067868 -0.350126 -0.264030 0.121695 -0.088571 0.164804 0.747389 0.014225 0.107827 -0.394004 0.401110 0.373724 -0.050899 -0.272597 -0.640117 -0.010545

z4 0.501182 -0.143769 -0.393405 -0.973229 -0.045162 0.359802 0.613707 -0.724079 0.306499 0.048335 0.548252 -0.164916 0.030744 0 -0.333246 0.167355 -0.502254 0.864826 0.062648 -0.089856 -0.312609 -0.509807 0.670993 -0.608268 0.425988 0.539170 -0.586673 -0.434092 -0.228510 -0.764866 0.832206 0 0.049967 -0.237762 -1.039932 0.775722 -0.272761 0.192502 -0.100138 -0.341565 -0.029388 0.057088 0.293337 0.826632 0.269515 0.434092 0.114255 0.392471 0.323097 -0.163070 -0.416103 47


f 7 states 4H3 2K4 4H3 2K5 4H4 4H4 4H4 4H5 4H4 4I4 4H4 4I5 4H4 4K3 4H4 2F8 4H4 2F9 4H4 2F10 4H4 2G7 4H4 2G8 4H4 2G9 4H4 2G10 4H4 2H8 4H4 2H9 4H4 2I6 4H4 2I7 4H4 2I8 4H4 2I9 4H4 2K6 4H4 2K7 4H5 4H5 4H5 4I4 4H5 4I5 4H5 4K3 4H5 2F8 4H5 2F9 4H5 2F10 4H5 2G7 4H5 2G8 4H5 2G9 4H5 2G10 4H5 2H8 4H5 2H9 4H5 2I6 4H5 2I7 4H5 2I8 4H5 2I9 4H5 2K6 4H5 2K7 4I1 4I1 4I1 2G1 4I1 2G2 4I1 2H1 4I1 2H2 4I1 2I1 4I1 2K1 4I1 2L1 4I2 4I2 4I2 4I3

z1 -6.436670 -11.250418 -11.716655 15.919799 1.833030 -14.282857 0 5.002499 -4.630065 -4.365490 6.821590 10.928746 -2.520417 8.983090 2.980707 -7.174956 9.575537 3.585686 9.588299 4.260705 14.204163 0 -35.149964 -3.469047 -21.023796 16.561573 0 0 -9.346657 -1.235829 -5.656854 -5.396295 -12.550407 0 -2.437212 3.093982 3.694591 1.411359 -0.843239 0 12.071217 8.135221 -7.045308 7.099296 6.745369 -10.751744 -9.993179 15 7.141428 -12.783918 -12.077671

z2 -21.455565 -132.677344 9.914093 -191.037588 -194.824932 171.394282 168.770603 -385.192452 177.926776 -144.061159 75.037491 -70.256227 -83.173749 296.441976 289.128598 -236.773563 161.849930 -225.898207 316.413878 140.603265 -99.429140 0 -369.074627 -383.329672 -220.749858 -198.738881 0 0 112.159886 150.771109 -271.529004 64.755540 150.604889 0 29.246538 -377.465856 177.340351 -16.936313 10.118865 0 -144.854607 126.095923 14.090616 92.290845 323.777702 81.586764 358.217049 -45 92.838570 -314.368177 -277.786426

z3 -0.494128 -0.115600 -0.245804 -0.482418 0.438420 -0.324610 -0.071031 0 -0.240523 0.625359 -0.316963 -0.028386 0.398854 -0.506494 -0.144519 -0.100349 -1.065128 0.076060 0.087166 -0.220250 -0.502167 -0.579853 0 0.513933 0 0.449588 -0.360450 0.619570 -0.336338 0.085821 -0.153206 0.553029 0.058104 -0.558407 0.590839 -0.114592 0 0.256611 0.193242 -0.739170 -0.152414 0.246522 0.925141 0.519898 -0.613215 -0.028748 0.116471 -0.272727 -0.649221 -0.105652 0.223661

z4 -0.054014 -0.493749 -0.586148 0 -0.388214 0 1.180214 0.104948 -0.901961 -0.518974 0.066785 0.242376 0.281471 0.545494 -0.245960 -0.050175 0.086560 0.132060 0.496178 -0.474970 0.893968 0 0.040967 0.273588 -0.367549 0 0 0 0.784335 0.224696 0 0.855357 -0.016717 0 -0.977157 -0.139434 0 0.039479 -0.754787 0 -1.012969 0.881790 0.098536 -0.148936 0 -0.703220 -0.333285 0.692308 -0.149820 -0.377910 0.009384 48


f 7 states 4I2 4K1 4I2 4K2 4I2 4L1 4I2 2G3 4I2 2G4 4I2 2G5 4I2 2G6 4I2 2H3 4I2 2H4 4I2 2H5 4I2 2H6 4I2 2H7 4I2 2I2 4I2 2I3 4I2 2I4 4I2 2I5 4I2 2K2 4I2 2K3 4I2 2K4 4I2 2K5 4I2 2L2 4I2 2L3 4I3 4I3 4I3 4K1 4I3 4K2 4I3 4L1 4I3 2G3 4I3 2G4 4I3 2G5 4I3 2G6 4I3 2H3 4I3 2H4 4I3 2H5 4I3 2H6 4I3 2H7 4I3 2I2 4I3 2I3 4I3 2I4 4I3 2I5 4I3 2K2 4I3 2K3 4I3 2K4 4I3 2K5 4I3 2L2 4I3 2L3 4I4 4I4 4I4 4I5 4I4 4K3 4I4 4L2 4I4 4L3 4I4 2G7

z1 -17.104719 -17.631141 0 -7.988628 -7.281359 2.062655 4.540725 -6.009252 -5.790025 2.008316 4.790616 -4.441174 1.452718 -3.019418 0.348652 -8.131900 2.849014 -4.407785 -3.623750 2.457085 -7.324572 9.518813 -8.135221 -18.516402 0 26.446712 -3.074824 -0.622799 -8.137642 3.932383 3.122499 3.994802 6.482669 -0.460977 -1.054135 3.019418 -2.469621 -9.007929 4.694954 4.539867 3.817254 9.414779 -6.383694 1.409614 8.243533 14.672452 -0.950837 14.905416 27.597101 3.842618 -5.937432

z2 -168.909105 -405.516249 229.035244 15.977257 99.511900 16.501240 -145.303194 -192.296068 294.954913 16.066528 -153.299706 142.117566 -2.905436 -24.155341 -11.156874 260.220789 -272.935581 -35.262283 115.960000 -78.626722 100.102480 -304.602001 42.419366 103.383244 -50.896721 -85.951814 159.890872 97.779467 -94.872993 -25.342024 347.638222 -73.737384 75.578436 74.678310 109.231213 -157.009719 -56.074915 -119.870882 -21.127295 -12.698468 -96.703770 96.239960 -174.014778 -221.309474 65.948268 606.146589 -105.067483 -154.022633 122.215734 424.609306 -130.623505

z3 -0.275360 -0.400708 0.578372 -0.100867 0.289429 0.375896 0.556124 -0.273148 -0.147426 0.492397 -0.048390 0.589166 -0.264131 0.330408 -0.829370 0.477441 -0.276268 0.300531 -0.796127 0.539814 -0.394590 0.072112 -0.704348 0.228338 0.681193 -0.450796 0.213529 -0.369590 -0.537798 0.067305 0.252323 0.914214 0.330602 0.041907 0.375552 0.279576 -0.044022 -0.094547 -0.240083 0.292423 -0.311678 0.668333 0.041197 0.512587 0.020817 -0.218348 0.499430 -0.081553 0.761608 0.698658 -0.283677

z4 0.493405 -0.369884 -0.106776 0.111729 0.062234 0.576966 0 0 0.293844 -0.868185 0 0 -0.377910 -0.018769 0 0 -0.289285 0.739768 0 0 0.062603 0 0.686739 -0.796335 0.213553 -0.601062 0.430045 0.056618 0.402510 0.213883 0.140719 0.030652 -0.114255 0.676960 -0.182895 -0.009384 -0.343370 0.698900 0.114911 -0.169779 -0.106776 0.673007 0 -0.128147 -1.383530 -0.695984 -0.380113 -0.382190 0.082709 0.282150 0.202620 49


f 7 states 4I4 2G8 4I4 2G9 4I4 2G10 4I4 2H8 4I4 2H9 4I4 2I6 4I4 2I7 4I4 2I8 4I4 2I9 4I4 2K6 4I4 2K7 4I4 2L4 4I4 2L5 4I5 4I5 4I5 4K3 4I5 4L2 4I5 4L3 4I5 2G7 4I5 2G8 4I5 2G9 4I5 2G10 4I5 2H8 4I5 2H9 4I5 2I6 4I5 2I7 4I5 2I8 4I5 2I9 4I5 2K6 4I5 2K7 4I5 2L4 4I5 2L5 4K1 4K1 4K1 4K2 4K1 4L1 4K1 4M 4K1 2H3 4K1 2H4 4K1 2H5 4K1 2H6 4K1 2H7 4K1 2I2 4K1 2I3 4K1 2I4 4K1 2I5 4K1 2K2 4K1 2K3 4K1 2K4 4K1 2K5 4K1 2L2 4K1 2L3 4K1 2M1

z1 4.892016 -3.190896 -3.445562 4.763140 -2.405351 8.680881 -7.161178 2.553245 -5.958892 -10.453981 -9.053413 -7.514272 0 -6.304796 18.066544 -22.768399 -7.397297 1.850564 5.929510 -2.486326 -8.333691 -4.723611 -2.915476 0.848035 -8.679914 1.856841 11.471265 4.024922 -4.260282 3.764135 11.115813 -13.763305 -9.243947 15.427249 24.657656 4 -3.198401 7.595545 5.905235 5.510986 7.750576 -4.281918 -5.679301 -3.895969 -8.125883 -0.064194 -4.239636 -7.367627 1.879486 3.434806 -10.017173

z2 0 140.399430 151.604749 0 105.835452 -310.697803 0 -112.342793 262.191227 0 398.350169 330.627974 0 -66.200360 -216.798524 273.220790 -77.671616 -225.768797 284.616488 29.835915 100.004297 -226.733324 34.985711 -103.460260 -416.635878 -22.282094 -137.655174 193.196273 51.123380 -45.169616 -133.389752 -100.401547 80.970125 437.472693 -80.137382 -21.333333 -142.861920 -27.850333 -85.625901 -28.175370 -286.771313 -251.630188 111.113861 -0.779194 -226.019923 214.429605 143.672627 115.110717 -69.540981 -101.899233 -161.045316

z3 -0.625503 0.641503 0.315843 -0.890956 -0.636973 0.112290 -0.337564 0.709235 -0.218493 -0.665253 0.653858 -0.626189 0 0 -1.665224 0.891187 0 0.116829 0.561507 0.241988 -0.663909 -1.073548 -0.993912 -0.111358 -0.315633 -0.253206 0.698704 -0.318470 -0.562365 0.336302 0.842107 0.304782 -0.400727 -0.122438 0.451434 0.217172 -0.280668 -0.132986 0.383989 -0.850804 -0.275360 -0.371536 -0.364515 0.099957 0.064980 -0.543704 -0.158060 0.485440 0.571914 -0.293751 0.369709

z4 0.547358 -0.348098 0.324724 -0.823633 -0.168954 -0.685337 -0.017806 0.261871 0.215576 0.701806 -0.050648 0.088144 -0.484552 1.038947 0 0 1.319098 -0.336466 0 0.370920 0.267997 0 -1.060173 0.193724 0 -0.779094 -0.038505 0 -0.422507 -1.213886 0 0.150129 0.294884 0.285119 -0.560401 0 0.670993 -0.478041 0.722669 0.264409 -0.061676 0.497709 -0.148489 0.221226 -0.256060 0.184302 0.322353 -0.737850 -0.486301 0.414739 -0.350251 50


f 7 states 4K1 2M2 4K2 4K2 4K2 4L1 4K2 4M 4K2 2H3 4K2 2H4 4K2 2H5 4K2 2H6 4K2 2H7 4K2 2I2 4K2 2I3 4K2 2I4 4K2 2I5 4K2 2K2 4K2 2K3 4K2 2K4 4K2 2K5 4K2 2L2 4K2 2L3 4K2 2M1 4K2 2M2 4K3 4K3 4K3 4L2 4K3 4L3 4K3 2H8 4K3 2H9 4K3 2I6 4K3 2I7 4K3 2I8 4K3 2I9 4K3 2K6 4K3 2K7 4K3 2L4 4K3 2L5 4K3 2M3 4K3 2M4 4L1 4L1 4L1 4M 4L1 2I2 4L1 2I3 4L1 2I4 4L1 2I5 4L1 2K2 4L1 2K3 4L1 2K4 4L1 2K5 4L1 2L2 4L1 2L3 4L1 2M1 4L1 2M2 4L1 2N1

z1 -13.675937 -8.718836 -2.138090 11.960720 2.061553 -6.593673 -1.565862 -7.071634 -6.226081 -4.407785 -3.817254 -11.019463 -7.559289 6.021938 1.338964 -1.595727 6.360751 7.065556 -9.996753 11.960720 0 -13.763305 15.427249 -17.184711 11.163126 -7.464200 -9.970411 0.850420 -5.609360 -2.264459 -5.817981 7.671259 -4.715519 11.297659 -9.437293 -8.081615 -14.674240 -14.236104 -5.725881 -10.743977 4.485274 8.314102 -1.879486 3.340766 -1.428194 8.583057 -12.514234 -6.981388 0.444878 -11.054128 -9.612492

z2 186.904471 -7.680879 63.073653 -173.430440 229.519546 304.407903 -143.015375 -107.596260 41.043232 229.204837 96.703770 -167.495842 -24.189726 -120.256275 -161.070114 -40.669708 227.282082 -199.886851 -64.423518 -128.577740 -88.450717 284.265189 62.810941 206.216530 -78.141883 -246.318609 -207.162979 -363.129367 -185.108879 -74.727153 326.907626 253.151546 -155.612120 372.822744 -198.183154 -266.693293 66.034082 117.447861 211.857600 -172.730087 -102.016115 -80.456936 69.540981 -183.742104 89.097319 -102.293154 -412.969733 140.349964 308.300635 235.295014 67.287443

z3 -0.253258 -0.619000 -0.747792 0.196325 0.166590 0.006244 -0.010545 0.446668 0.039140 0.500885 -0.396827 0.391247 -0.143932 -1.317195 -0.038687 0.493121 0.318932 -0.154250 0.591278 -0.998614 0.011168 0.914345 -0.367315 0.065094 0.460432 0.555320 -1.012707 0.070152 0.896609 0.311649 0.350222 -0.614856 -0.250202 0.741765 0.200185 -0.530611 -0.222337 0.674058 -0.578372 -0.187832 0.452576 -0.364027 0.624122 -0.088412 -1.047009 -0.385165 -0.047402 -0.143470 -0.519025 0.677923 -0.849589

z4 0.796966 -0.482638 -0.814866 -0.209103 -0.086499 -0.207493 -0.416103 -0.411891 0.207041 -0.369884 0.106776 0.209601 -0.236822 0.062869 0.241319 0.854006 0.584211 -0.173730 -0.127387 0.104552 1.360780 -0.450386 -0.855357 0 0.702574 0.782958 -0.085217 -0.731480 0.283065 -0.522568 -0.270868 0.537827 -0.311942 -0.282159 0.514761 -0.960751 0.051309 -0.771537 -0.013347 -0.375664 -1.001696 0.118570 0.486301 0.509292 -0.458651 0.103315 -0.087512 0.370927 -0.482211 -0.180370 -0.604982 51


f 7 states 4L2 4L2 4L2 4L3 4L2 4N 4L2 2I6 4L2 2I7 4L2 2I8 4L2 2I9 4L2 2K6 4L2 2K7 4L2 2L4 4L2 2L5 4L2 2M3 4L2 2M4 4L2 2N2 4L3 4L3 4L3 4N 4L3 2I6 4L3 2I7 4L3 2I8 4L3 2I9 4L3 2K6 4L3 2K7 4L3 2L4 4L3 2L5 4L3 2M3 4L3 2M4 4L3 2N2 4M 4M 4M 2K2 4M 2K3 4M 2K4 4M 2K5 4M 2L2 4M 2L3 4M 2M1 4M 2M2 4M 2N1 4M 2O 4N 4N 4N 2L4 4N 2L5 4N 2M3 4N 2M4 4N 2N2 4N 2Q

z1 -14.674240 6.022181 -29.933259 -0.879049 -10.122023 3.248014 -6.658842 9.492478 0.661438 13.352948 5.090313 -7.628073 8.398661 -8.024961 -19.153745 7.677719 -3.427164 0 14.218207 4.635883 -8.933085 12.525403 7.849635 -3.133531 -8.944272 0 20.583591 -31.973028 1.314257 11.960720 2.199533 -11.019745 -8.346656 -12.845233 -2.854735 4.921890 10.143964 -11.747340 -47.297491 -11.042440 -15.740036 -7.599342 11.240552 -1.102628 13.416408

z2 506.261296 -72.266175 359.199109 67.686779 -212.562491 107.184471 -219.741784 -295.576132 21.827448 440.647271 167.980342 467.491912 277.155800 -264.823715 -201.114327 80.616049 418.114034 0 -170.618488 -55.630597 -428.788060 -150.304833 -94.195623 37.602370 -429.325052 0 -247.003090 75.364994 -206.338425 -128.577740 81.641483 6.296997 157.068891 -219.536702 -393.953379 111.755853 298.522361 23.494680 -496.623653 132.509281 188.880429 -364.768420 -134.886619 13.231541 -160.996894

z3 -0.667011 -1.300244 -1.077144 0.279697 -0.357849 -0.399167 0.731464 0.381881 0.661438 -0.513996 -0.145682 0.544862 0.947324 -0.668747 0 0 -0.155780 0.279031 0.221037 0.056193 -0.270700 -0.613990 -0.913322 1.178151 1.168854 1.116998 0.249498 0.553646 -0.172579 1.023155 -0.128894 0.433316 0.114968 0.250653 0.034603 0.742816 -0.014638 -0.355980 0 -0.511224 -0.201859 -0.921132 -0.633439 -0.902151 0.067760

z4 -0.153926 0 0 -0.018442 0.552110 -0.906012 -0.708828 -0.748503 0.152639 -0.471934 0.668425 0.708702 0.163144 0.841779 -1.510091 -1.369104 -0.143797 0 1.325707 -0.550399 0 0.680112 -0.642139 -0.503183 0 0.856998 1.036377 0.015971 -0.119478 0.104552 -1.354463 0.396315 0.164492 -0.577069 -0.007985 -0.654632 0.304015 0.164298 0.055125 -0.720719 1.449930 0 -0.215130 1.038373 -1.125852

52 atomicdata2012yyyeung2tables.doc

Table 2. Labels and normalisaton factors in f 2 of the intra-atomic magnetic operators zr zr

WU

K

Fr(2)

z1

(200)(20)

0

126

z2

(220)(20)

0

42,336

z3

(220)(21)

0

49/165

z4

(220)(22)

0

224/715

z5

(211)(11)

2

280

z6

(211)(30)

2

56/55

z7

(211)(11)

0

140

z8

(211)(30)

0

28/55

z9

(110)(11)

0

1,120/27

z10

(310)(30)

0

224/165

z11

(310)(31)

0

896/6,435

zc

(110)(11)

0,1,2

1,120

53 atomicdata2012yyyeung2tables.doc

for Atomic Data and Nuclear Data Tables Manuscript ...

for Atomic Data and Nuclear Data Tables Manuscript ...

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