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isf_Balyuzi.dat
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isf_Balyuzi.dat
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#F isf_Balyuzi.dat
#D Wed Oct 16 15:00:55 2002
#UT Incoherent scattering functions
#UIDL xisf
#UISFTYPE PARAMETRIZATION ; TABLE OR TABLE_NOR OR PARAMETRIZATION?
#C This file has been created using isf_Balyuzi.pro on Wed Oct 16 15:00:55 2002
#UD
#UD Incoherent scattering functions
#UD
#UD This file contains the tabulated coefficients for calculation
#UD of incoherent scattering functions as a function of sin(theta)/lambda, being
#UD theta=scattering angle, and lambda=photon wavelength in A,
#UD for elements with Z=1 to Z=92.
#UD
#UD REFERENCE:
#UD Analytic Approximations to Incoherently Scattered X-Ray Intensities
#UD by H.H.M. Balyuzi, Acta Cryst. (1975) A31, 600-602
#UD
#UD This is the abstract from the mentioned paper:
#UD The theoretically calculated incoherently scattered X-ray intensities of
#UD Cromer & Mann [J. Chem. Phys. (1967). 47, 1892-1893] and Cromer [J. Chem.
#UD Phys. (1969). 50, 4857-4859] for the elements 2 to 95 and 102 have been
#UD fitted to analytic function. The coefficients of the fit are tabulated
#UD and the accurance of the fitting is discussed. The accuracy is very good
#UD for sin(theta)/Lambda<=1.5 A^(-1)
#UD
#UD The analytical function is:
#UD Ffit[s] = c + [SUM a_i*EXP(-b_i*(s^2)) ]
#UD i=1,5
#UD And the incoherent scattering function is Z-Ffits[s]
#UD
#UD where s = sin(theta)/lambda, and a_i and b_i are the tabulated coefficients.
#UD
#UD Nota:
#UD i) An additional term c (always set to zero) has been added in order to
#UD allow compatibility with other DABAX processing routines.
#UD ii) The present data contain parameters for H and do not contain data for Z>92,
#UD iii) The data in this file has been extracted from the file sf_inc.f
#UD of the library by Brennan and Cowan (S. Brennan and P.L. Cowan (1992)
#UD Rev. Sci. Instrum. 63,1, 850)
#UD available by ftp from the authors from
#UD http://www-ssrl.slac.stanford.edu/absorb.html or
#UD ftp://ftpa.aps.anl.gov/pub/cross-section_codes/sb-1.0.tar.Z
#UD
#UD Column description: a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
#UD Note that column c is always zero for compatibility with DABAX
#UD format in f0_*.dat
#UD
#S 1 H
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.262300014 0.509400010 0.203400001 2.490000054E-02 0.000000000E+00 0.0 32.3717003 14.7083998 6.68839979 2.48429990 0.000000000E+00
#S 2 He
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.524600029 1.01880002 0.406800002 4.980000108E-02 0.000000000E+00 0.0 32.3717003 14.7083998 6.68839979 2.48429990 0.000000000E+00
#S 3 Li
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.180000141E-02 0.957799971 0.734799981 1.08169997 0.173999995 0.0 533.921997 245.845001 10.1830997 4.43639994 1.50310004
#S 4 Be
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.463400006 1.55920005 0.768499970 1.06229997 0.147000000 0.0 185.856003 104.600998 4.85890007 2.19320011 0.764100015
#S 5 B
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.904600024 1.98220003 0.227899998 1.48730004 0.397899985 0.0 104.960999 46.0191002 8.98729992 1.96739995 0.677800000
#S 6 C
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.756799996 2.55110002 0.705100000 1.46050000 0.526300013 0.0 82.2385025 31.7282009 11.9470997 1.46370006 0.514999986
#S 7 N
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.907000005 2.89720011 1.16589999 1.55260003 0.476900011 0.0 64.1555023 20.8507004 7.75759983 1.03349996 0.351599991
#S 8 O
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.884700000 3.21889997 1.79900002 1.55379999 0.543399990 0.0 52.0063019 16.4487000 6.59579992 0.814300001 0.281500012
#S 9 F
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
0.975600004 3.51009989 2.35610008 1.58959997 0.588299990 0.0 41.7193985 12.7747002 5.29449987 0.647000015 0.225400001
#S 10 Ne
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.15439999 3.80329990 2.80850005 1.66470003 0.568700016 0.0 34.2566986 9.76720047 4.03749990 0.525600016 0.180000007
#S 11 Na
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.02429998 2.07040000 5.31969976 1.52139997 1.06369996 0.0 293.411011 15.2372999 4.46969986 0.624599993 0.192200005
#S 12 Mg
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.00489998 1.94490004 5.42910004 1.63150001 0.988799989 0.0 178.983002 11.2433004 3.42720008 0.490700006 0.154200003
#S 13 Al
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.67899990 1.23360002 5.93580008 1.66219997 1.48350000 0.0 121.362999 16.0727997 3.26320004 0.661599994 0.158600003
#S 14 Si
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.10060000 2.20250010 5.30630016 2.51620007 1.87160003 0.0 116.957001 34.7760010 3.32150006 0.993300021 0.155300006
#S 15 P
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.89359999 3.37820005 5.37519979 2.49419999 1.85640001 0.0 108.032997 26.6585999 2.68650007 0.797299981 0.133300006
#S 16 S
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.07170010 4.20230007 5.68830013 2.26230001 1.77349997 0.0 86.7210999 21.4573994 2.12549996 0.588199973 0.112800002
#S 17 Cl
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.12210011 5.09049988 5.68849993 2.28090000 1.81640005 0.0 73.8395004 17.9755993 1.80369997 0.516200006 0.100800000
#S 18 Ar
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.17779994 5.97910023 5.61040020 2.34419990 1.88730001 0.0 65.6186981 14.4379997 1.56110001 0.471599996 9.139999747E-02
#S 19 K
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.08630002 2.85619998 5.66160011 6.78090000 2.61450005 0.0 425.473999 35.7248993 9.32610035 1.02059996 0.103600003
#S 20 Ca
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.05539989 2.72510004 5.91039991 6.71710014 2.59159994 0.0 289.862000 28.7189999 7.47879982 0.864400029 9.200000018E-02
#S 21 Sc
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.16079998 2.95449996 6.51249981 6.77449989 2.59689999 0.0 251.386993 26.8528004 6.42379999 0.761600018 8.309999853E-02
#S 22 Ti
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.19829988 3.22819996 7.06489992 6.88320017 2.62430000 0.0 226.968002 24.9305992 5.62130022 0.686500013 7.580000162E-02
#S 23 V
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.23990011 3.43479991 7.64120007 7.02699995 2.65580010 0.0 206.399002 22.9025993 4.93660021 0.625599980 6.970000267E-02
#S 24 Cr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.58930004 3.66919994 8.72490025 7.29129982 2.72259998 0.0 196.584000 25.2663002 4.58479977 0.587599993 6.499999762E-02
#S 25 Mn
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.31559992 3.74200010 8.82409954 7.38110018 2.73550010 0.0 174.656006 19.5879002 3.88960004 0.532599986 5.970000103E-02
#S 26 Fe
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.31410003 3.97289991 9.26239967 7.50829983 2.94039989 0.0 164.104004 18.2898006 3.58610010 0.515500009 5.970000103E-02
#S 27 Co
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.36360002 4.41879988 9.73499966 7.68720007 2.79270005 0.0 151.337006 16.0769997 3.14450002 0.455300003 5.139999837E-02
#S 28 Ni
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.41739988 4.70760012 10.2289000 7.83570004 2.80710006 0.0 139.962997 14.5797005 2.81419992 0.420300007 4.760000110E-02
#S 29 Cu
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
1.75320005 4.81669998 11.2835999 8.24600029 2.89429998 0.0 127.250999 16.9193993 2.74580002 0.407599986 4.540000111E-02
#S 30 Zn
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.44740009 5.10799980 11.4406996 8.17910004 2.82110000 0.0 125.083000 12.8443003 2.31220007 0.360500008 4.100000113E-02
#S 31 Ga
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.03600001 5.17600012 11.6691999 8.29399967 2.81480002 0.0 104.577003 11.2803001 2.06629992 0.331400007 3.799999878E-02
#S 32 Ge
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.47950006 5.23059988 11.9323997 8.50629997 2.83879995 0.0 87.5304031 10.8491001 1.90600002 0.310699999 3.559999913E-02
#S 33 As
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.33850002 5.62290001 12.2448997 8.86680031 2.91380000 0.0 82.4878998 12.0723000 1.83169997 0.299600005 3.409999982E-02
#S 34 Se
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.53329992 5.96439981 12.4403000 9.12119961 2.92890000 0.0 73.4400024 12.2369003 1.71510005 0.282400012 3.180000186E-02
#S 35 Br
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.48979998 6.56409979 12.5318003 9.38770008 3.01699996 0.0 68.5438004 12.5939999 1.62349999 0.271200001 3.079999983E-02
#S 36 Kr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.05979991 7.66709995 12.5852003 9.61680031 3.06469989 0.0 70.8068008 12.6449003 1.52300000 0.257699996 2.940000035E-02
#S 37 Rb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.37700009 8.66049957 12.5728998 10.1506996 3.20830011 0.0 178.867004 13.9200001 1.52240002 0.256700009 2.889999934E-02
#S 38 Sr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.07399988 8.83440018 12.5144997 10.3128996 3.24329996 0.0 210.802994 12.3783998 1.41480005 0.242400005 2.749999985E-02
#S 39 Y
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.50860000 9.25739956 12.4296999 10.4961996 3.28399992 0.0 177.423004 11.0509005 1.32420003 0.230000004 2.630000003E-02
#S 40 Zr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.84360003 9.69799995 12.3352003 10.7459002 3.34929991 0.0 152.274002 10.0160999 1.26100004 0.220599994 2.539999969E-02
#S 41 Nb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.75189996 10.5738001 12.2250996 10.9744997 3.44250011 0.0 117.447998 8.99750042 1.20439994 0.212699994 2.480000071E-02
#S 42 Mo
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.95670009 11.1227999 12.1674004 11.2327995 3.48569989 0.0 105.180000 8.07540035 1.15509999 0.203799993 2.370000072E-02
#S 43 Tc
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.33169985 10.7065001 12.1316004 12.0686998 3.72959995 0.0 115.939003 7.91510010 1.27690005 0.210500002 2.400000021E-02
#S 44 Ru
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.73080015 12.0615997 11.9366999 11.6021004 3.62249994 0.0 77.6118011 6.46670008 1.04310000 0.187700003 2.229999937E-02
#S 45 Rh
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.87449980 12.2804003 12.0132999 12.0244999 3.75920010 0.0 71.5772018 6.17010021 1.05890000 0.185299993 2.199999988E-02
#S 46 Pd
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.48470020 13.7150002 11.6608000 11.4708996 3.65450001 0.0 53.2508011 4.93289995 0.857500017 0.165500000 2.060000040E-02
#S 47 Ag
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.34899998 13.4126997 11.9401999 12.3200998 3.92050004 0.0 58.9663010 5.05480003 0.968400002 0.171499997 2.099999972E-02
#S 48 Cd
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.52239990 9.62819958 14.9509001 14.2066002 4.65630007 0.0 87.3897018 7.71190023 1.58200002 0.203600004 0.233999997
#S 49 In
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.70310020 8.23610020 16.4206009 14.6608000 4.94929981 0.0 89.2096024 8.99650002 1.72290003 0.206200004 2.380000055E-02
#S 50 Sn
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.96770000 7.48729992 17.4267998 14.9229002 5.16779995 0.0 83.2133026 10.1129999 1.76049995 0.204200000 2.370000072E-02
#S 51 Sb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.60010004 7.43989992 18.3474998 15.1777000 5.40959978 0.0 62.5070000 12.5902004 1.79059994 0.202900007 2.380000055E-02
#S 52 Te
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.56710005 7.71780014 18.8337994 15.2844000 5.57690001 0.0 79.7245026 13.8028002 1.74109995 0.197600007 0.234999999
#S 53 I
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.31470013 8.37279987 19.1961002 15.3645000 5.73649979 0.0 78.6996002 14.9420996 1.67949998 0.192100003 2.319999970E-02
#S 54 Xe
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.44670010 19.4724007 9.74730015 15.4209995 5.90339994 0.0 88.3050003 1.61310005 16.1669006 0.186900005 2.290000021E-02
#S 55 Cs
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.57509995 19.7180996 11.0137997 15.5312004 6.13740015 0.0 224.598007 1.57219994 17.7908001 0.184499994 2.290000021E-02
#S 56 Ba
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.24769998 19.7824001 11.2142000 15.4790001 6.26020002 0.0 266.592987 1.47580004 16.2709999 0.177499995 2.250000089E-02
#S 57 La
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.66829991 11.7149000 19.8076992 15.4014997 6.38600016 0.0 224.725998 14.7472000 1.38230002 0.170800000 2.219999954E-02
#S 58 Ce
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.72180009 12.0075998 20.1924992 15.4540005 6.59959984 0.0 212.565994 14.0417004 1.32720006 0.168099999 2.209999971E-02
#S 59 Pr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.62870002 11.9193001 20.8822994 15.6424999 6.89709997 0.0 208.102997 13.8486004 1.30250001 0.169000000 2.219999954E-02
#S 60 Nd
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.72289991 12.0836000 21.2663994 15.7405005 7.15210009 0.0 194.998001 13.2282000 1.25730002 0.167699993 2.219999954E-02
#S 61 Pm
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.80089998 12.2545996 21.6280994 15.8659000 7.41260004 0.0 184.339996 12.6793003 1.21389997 0.166899994 2.219999954E-02
#S 62 Sm
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.85330009 12.3520002 22.0135994 16.0323009 7.70819998 0.0 176.391998 12.2877998 1.18099999 0.167199999 2.229999937E-02
#S 63 Eu
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.92339993 12.4961004 22.3132992 16.2152004 8.00850010 0.0 167.815994 11.8294001 1.14330006 0.167600006 2.239999920E-02
#S 64 Gd
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.11000013 13.0008001 22.2961998 16.2936993 8.25940037 0.0 160.858994 11.0492001 1.09140003 0.165900007 2.229999937E-02
#S 65 Tb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.15889978 13.2196999 22.4626999 16.5328999 8.58419991 0.0 155.186005 10.6407003 1.06669998 0.167400002 2.239999920E-02
#S 66 Dy
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.04150009 13.1037998 22.8132000 17.0065994 8.98490047 0.0 150.057999 20.6511002 1.07079995 0.172299996 2.270000055E-02
#S 67 Ho
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.06199980 13.2131996 22.9351006 17.3999004 9.33880043 0.0 145.975998 10.3971996 1.05690002 0.175200000 2.280000038E-02
#S 68 Er
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.08150005 13.3282003 22.9864998 17.8547993 9.69670010 0.0 142.072006 10.1525002 1.04380000 0.178499997 2.290000021E-02
#S 69 Tm
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.74160004 13.2875004 23.1429005 17.9214993 9.89350033 0.0 100.169998 9.06760025 0.983299971 0.175300002 2.270000055E-02
#S 70 Yb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.10139990 13.4586000 22.9675007 18.9997997 10.4188004 0.0 135.832993 9.81250000 1.02900004 0.186000004 2.309999987E-02
#S 71 Lu
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.32609987 13.8638000 22.6991997 19.3649006 10.6985998 0.0 133.360001 9.16639996 0.995100021 0.186100006 2.300000004E-02
#S 72 Hf
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.57590008 14.3291998 22.3740997 19.7026997 10.9720001 0.0 124.500999 8.51949978 0.959900022 0.185699999 2.290000021E-02
#S 73 Ta
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.74160004 14.9284000 22.0214005 20.0289993 11.2347002 0.0 117.648003 7.90700006 0.925000012 0.185000002 2.270000055E-02
#S 74 W
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.84229994 15.6421003 21.6700993 20.3206997 11.4816999 0.0 112.694000 7.35510015 0.889199972 0.183699995 2.260000072E-02
#S 75 Re
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.00150013 16.3873997 21.3262997 20.5247002 11.7163000 0.0 106.000999 6.75920010 0.849099994 0.181700006 2.239999920E-02
#S 76 Os
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.36299992 17.5065994 23.3197002 20.9424992 8.81579971 0.0 93.6155014 6.05690002 0.715600014 0.137300000 1.269999985E-02
#S 77 Ir
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.09530020 15.4321003 15.5923996 26.5617008 14.2784004 0.0 98.2593994 6.94630003 1.25500000 0.259999990 2.419999987E-02
#S 78 Pt
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.64510012 18.8015003 20.6881008 20.5265999 12.2868004 0.0 69.2677002 5.31269979 0.710699975 0.170200005 2.160000056E-02
#S 79 Au
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.81699991 19.5634995 20.3715992 20.6837006 12.5114002 0.0 65.4078979 4.94689989 0.680899978 0.167999998 0.214000002
#S 80 Hg
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
5.93889999 19.4946003 19.0547009 22.4442005 13.0068998 0.0 74.0106964 4.91179991 0.737500012 0.177900001 2.160000056E-02
#S 81 Tl
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
6.58029985 19.6009998 18.3955002 23.0433006 13.3134003 0.0 69.9997025 4.60319996 0.731199980 0.178700000 2.160000056E-02
#S 82 Pb
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
7.37540007 19.7973995 18.0002003 23.2605000 13.4942999 0.0 62.4634018 4.25610018 0.702099979 0.175699994 2.129999921E-02
#S 83 Bi
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
8.23239994 20.0182991 17.6602993 23.3246002 13.6777000 0.0 53.0479012 3.92490005 0.667500019 0.172199994 2.099999972E-02
#S 84 Po
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
9.06620026 20.1394997 23.6273003 17.1872005 13.8913002 0.0 48.3272018 3.66240001 0.170100003 0.647099972 2.080000006E-02
#S 85 At
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
9.92230034 20.2544003 23.9015007 16.7271004 14.1028004 0.0 43.7514000 3.42289996 0.167999998 0.627099991 2.060000040E-02
#S 86 Rn
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
10.7789001 20.3925991 16.3719997 24.0636997 14.2879000 0.0 38.6120987 3.20499992 0.603699982 0.165000007 2.030000091E-02
#S 87 Fr
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
2.53320003 11.5319004 24.7458992 31.9246998 16.2474995 0.0 269.877991 21.9610004 2.07159996 0.224299997 2.229999937E-02
#S 88 Ra
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.22490001 11.6694002 24.8687000 31.8957005 16.3306007 0.0 321.662994 20.3845997 1.97300005 0.216600001 2.190000005E-02
#S 89 Ac
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.62069988 12.1268997 24.9363003 31.8798008 16.4227009 0.0 270.773987 18.9025002 1.88110006 0.209500000 2.150000073E-02
#S 90 Th
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
4.01809978 12.6119003 24.9620991 31.8645992 16.5249004 0.0 232.371002 17.3824997 1.79499996 0.202999994 2.109999955E-02
#S 91 Pa
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.79259992 12.6625996 25.8794994 31.9403000 16.7045002 0.0 236.802994 17.5907993 1.76069999 0.198400006 2.089999989E-02
#S 92 U
#N 11
#L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
3.90510011 12.8415003 26.4298000 31.9514008 16.8474998 0.0 221.177994 16.8736992 1.70079994 0.193200007 2.050000057E-02