#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:21:12 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1232 $ #$URL: svn://localhost/testcod/cif/1/00/00/1000020.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000020 loop_ _publ_author_name 'Hunger, Jens' 'Beta, Ilir A.' 'B\"ohlig, Heinz' 'Ling, Chris' 'Jobic, Herve' 'Hunger, Bernd' _publ_section_title ; Adsorption Structures of Water in NaX Studied by DRIFT Spectroscopy and Neutron Powder Diffraction ; _journal_issue 1 _journal_name_full 'The Journal of Physical Chemistry B' _journal_page_first 342 _journal_page_last 353 _journal_paper_doi 10.1021/jp054636u _journal_volume 110 _journal_year 2006 _chemical_formula_analytical 'Na88.1[Al88.1Si103.9O384] *18H2O' _chemical_formula_sum 'Al0.92 D0.38 Na0.91 O4.19 Si1.08' _chemical_formula_weight 143.79 _chemical_name_common NaX _space_group_IT_number 203 _space_group_name_Hall '-F 2uv 2vw 3' _space_group_name_H-M_alt 'F d -3 :2' _symmetry_cell_setting cubic _symmetry_space_group_name_Hall '-F 2uv 2vw 3' _symmetry_space_group_name_H-M 'F d -3 :2' _audit_creation_date 2005-08-01T20:24 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2005-08-01T20:24 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 96 _cell_length_a 25.10741(16) _cell_length_b 25.10741 _cell_length_c 25.10741 _cell_measurement_temperature 5 _cell_volume 15827.26(10) _computing_molecular_graphics 'Diamond 3' _computing_publication_material EXPGUI _computing_structure_refinement GSAS _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 2.4 _exptl_absorpt_correction_T_max 0.98183 _exptl_absorpt_correction_T_min 0.98177 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 Debye-Scherrer absorption correction Term (= MU.r/wave) = 0.45173E-02 Correction is not refined. ; _pd_block_id 2005-08-01T20:24|NAX25 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.05 _pd_meas_2theta_range_max 151.2 _pd_meas_2theta_range_min 0.05 _pd_meas_number_of_points 3024 _pd_phase_name NaX-25 _pd_proc_2theta_range_inc 0.05 _pd_proc_2theta_range_max 151.1279 _pd_proc_2theta_range_min -0.0221 _pd_proc_info_datetime 2005-08-01T20:24:47 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 20 terms. Shifted Chebyshev function of 1st kind 1: 199.778 2: -19.5786 3: 30.2938 4: -5.24347 5: 3.04775 6: -4.20423 7: -2.72784 8: -1.15154 9: -3.31095 10: -3.24475 11: -0.287343 12: 2.55833 13: -5.29209 14: -2.89879 15: 0.455718 16: -1.44847 17: -2.30224 18: 0.101916 19: -1.08280 20: 0.258534 ; _pd_proc_ls_peak_cutoff 0.00000 _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 155.297 #2(GV) = -175.375 #3(GW) = 158.390 #4(LX) = 6.585 #5(LY) = 15.168 #6(trns) = 0.000 #7(asym) = 7.7716 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0000 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0273 _pd_proc_ls_prof_wR_expected 0.0199 _pd_proc_ls_prof_wR_factor 0.0355 _pd_proc_number_of_points 3024 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.81 _refine_ls_matrix_type full _refine_ls_number_parameters 77 _refine_ls_number_restraints 28 _refine_ls_R_Fsqd_factor 0.01929 _refine_ls_shift/su_max 0.06 _refine_ls_shift/su_mean 0.00 _reflns_d_resolution_high 1.243 _reflns_d_resolution_low 8.877 _reflns_limit_h_max 20 _reflns_limit_h_min 1 _reflns_limit_k_max 14 _reflns_limit_k_min 0 _reflns_limit_l_max 13 _reflns_limit_l_min 0 _reflns_number_total 369 _cod_data_source_file jp054636usi20050825_095613.cif _cod_data_source_block NAX25_publ _cod_original_cell_volume 15827.26(30) _cod_original_sg_symbol_Hall 'F d -3' _cod_original_sg_symbol_H-M 'F d -3' _cod_database_code 1000020 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 +z,+x,+y 3 +y,+z,+x 4 +x+1/4,+y+1/4,-z 5 -z,+x+1/4,+y+1/4 6 +y+1/4,-z,+x+1/4 7 -z+1/4,+x+1/2,-y+3/4 8 -y+3/4,-z+1/4,+x+1/2 9 +y+1/2,-z+1/4,-x+3/4 10 -x+3/4,+y+1/2,-z+1/4 11 -z+1/4,-x+3/4,+y+1/2 12 +x+1/2,-y+3/4,-z+1/4 -1 -x,-y,-z -2 -z,-x,-y -3 -y,-z,-x -4 -x+3/4,-y+3/4,+z -5 +z,-x+3/4,-y+3/4 -6 -y+3/4,+z,-x+3/4 -7 +z+3/4,-x+1/2,+y+1/4 -8 +y+1/4,+z+3/4,-x+1/2 -9 -y+1/2,+z+3/4,+x+1/4 -10 +x+1/4,-y+1/2,+z+3/4 -11 +z+3/4,+x+1/4,-y+1/2 -12 -x+1/2,+y+1/4,+z+3/4 101 +x,+y+1/2,+z+1/2 102 +z,+x+1/2,+y+1/2 103 +y,+z+1/2,+x+1/2 104 +x+1/4,+y+3/4,-z+1/2 105 -z,+x+3/4,+y+3/4 106 +y+1/4,-z+1/2,+x+3/4 107 -z+1/4,+x,-y+1/4 108 -y+3/4,-z+3/4,+x 109 +y+1/2,-z+3/4,-x+1/4 110 -x+3/4,+y,-z+3/4 111 -z+1/4,-x+1/4,+y 112 +x+1/2,-y+1/4,-z+3/4 -101 -x,-y+1/2,-z+1/2 -102 -z,-x+1/2,-y+1/2 -103 -y,-z+1/2,-x+1/2 -104 -x+3/4,-y+1/4,+z+1/2 -105 +z,-x+1/4,-y+1/4 -106 -y+3/4,+z+1/2,-x+1/4 -107 +z+3/4,-x,+y+3/4 -108 +y+1/4,+z+1/4,-x -109 -y+1/2,+z+1/4,+x+3/4 -110 +x+1/4,-y,+z+1/4 -111 +z+3/4,+x+3/4,-y -112 -x+1/2,+y+3/4,+z+1/4 201 +x+1/2,+y,+z+1/2 202 +z+1/2,+x,+y+1/2 203 +y+1/2,+z,+x+1/2 204 +x+3/4,+y+1/4,-z+1/2 205 -z+1/2,+x+1/4,+y+3/4 206 +y+3/4,-z,+x+3/4 207 -z+3/4,+x+1/2,-y+1/4 208 -y+1/4,-z+1/4,+x 209 +y,-z+1/4,-x+1/4 210 -x+1/4,+y+1/2,-z+3/4 211 -z+3/4,-x+3/4,+y 212 +x,-y+3/4,-z+3/4 -201 -x+1/2,-y,-z+1/2 -202 -z+1/2,-x,-y+1/2 -203 -y+1/2,-z,-x+1/2 -204 -x+1/4,-y+3/4,+z+1/2 -205 +z+1/2,-x+3/4,-y+1/4 -206 -y+1/4,+z,-x+1/4 -207 +z+1/4,-x+1/2,+y+3/4 -208 +y+3/4,+z+3/4,-x -209 -y,+z+3/4,+x+3/4 -210 +x+3/4,-y+1/2,+z+1/4 -211 +z+1/4,+x+1/4,-y -212 -x,+y+1/4,+z+1/4 301 +x+1/2,+y+1/2,+z 302 +z+1/2,+x+1/2,+y 303 +y+1/2,+z+1/2,+x 304 +x+3/4,+y+3/4,-z 305 -z+1/2,+x+3/4,+y+1/4 306 +y+3/4,-z+1/2,+x+1/4 307 -z+3/4,+x,-y+3/4 308 -y+1/4,-z+3/4,+x+1/2 309 +y,-z+3/4,-x+3/4 310 -x+1/4,+y,-z+1/4 311 -z+3/4,-x+1/4,+y+1/2 312 +x,-y+1/4,-z+1/4 -301 -x+1/2,-y+1/2,-z -302 -z+1/2,-x+1/2,-y -303 -y+1/2,-z+1/2,-x -304 -x+1/4,-y+1/4,+z -305 +z+1/2,-x+1/4,-y+3/4 -306 -y+1/4,+z+1/2,-x+3/4 -307 +z+1/4,-x,+y+1/4 -308 +y+3/4,+z+1/4,-x+1/2 -309 -y,+z+1/4,+x+1/4 -310 +x+3/4,-y,+z+3/4 -311 +z+1/4,+x+3/4,-y+1/2 -312 -x,+y+3/4,+z+3/4 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Si Si1 0.12680(22) -0.05256(21) 0.03597(24) 1.0 Uiso 0.0102(5) 96 Si Si2 -0.05495(25) 0.12202(26) 0.03506(26) 0.0826 Uiso 0.0102(5) 96 Al Al1 -0.05495(25) 0.12202(26) 0.03506(26) 0.9174 Uiso 0.0102(5) 96 O O1 0.10881(16) -0.10442(16) 0.00289(35) 1.0 Uiso 0.03212(25) 96 O O2 0.17461(17) 0.17665(17) -0.03426(11) 1.0 Uiso 0.03212(25) 96 O O3 -0.00312(17) -0.00084(15) 0.14243(10) 1.0 Uiso 0.03212(25) 96 O O4 0.17822(17) 0.17982(18) 0.31856(12) 1.0 Uiso 0.03212(25) 96 Na SI 0.0 0.0 0.0 0.058(15) Uiso 0.0223(15) 16 Na SI' 0.04932(19) 0.04932(19) 0.04932(19) 0.821(12) Uiso 0.0223(15) 32 Na SII 0.23254(17) 0.23254(17) 0.23254(17) 0.945(12) Uiso 0.0223(15) 32 Na SJ 0.2061(11) 0.0444(11) -0.1378(8) 0.229(6) Uiso 0.0223(15) 96 O Oa 0.1683(8) 0.0138(8) -0.1804(9) 0.1144(18) Uiso 0.07453 96 D Da1 0.2064(8) 0.0137(13) -0.1831(13) 0.1144(18) Uiso 0.07453 96 D Da2 0.1613(12) 0.0223(15) -0.1438(10) 0.1144(18) Uiso 0.07453 96 O OII' 0.1623 0.1623 0.1623 0.0504(18) Uiso 0.07453 32 D DII'1 0.1885 0.1355 0.1542 0.0169(6) Uiso 0.07453 96 D DII'2 0.13 0.149 0.146 0.0169(6) Uiso 0.07453 96 O OII* 0.2825 0.2825 0.2825 0.017(4) Uiso 0.07453 32 D DII*1 0.265 0.315 0.293 0.0058(12) Uiso 0.07453 96 D DII*2 0.3196 0.289 0.29 0.0058(12) Uiso 0.07453 96 O Ob 0.3324(16) 0.0835(15) -0.1225(18) 0.0528(17) Uiso 0.07453 96 D Db1 0.3407(22) 0.0898(34) -0.1593(18) 0.0528(17) Uiso 0.07453 96 D Db2 0.2963(19) 0.0957(28) -0.1187(28) 0.0528(17) Uiso 0.07453 96 Na SIII 0.375 0.375 0.1469(14) 0.158(9) Uiso 0.0223(15) 48 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_length_neutron _atom_type_scat_source Si 103.93 0.4149 International_Tables_Vol_C Al 88.07 0.3449 International_Tables_Vol_C O 402.219 0.5803 International_Tables_Vol_C Na 86.984 0.3630 International_Tables_Vol_C D 36.461 0.6671 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Da1 Oa Da2 104.4952 1_555 . 1_555 N DII'1 OII' DII'1 118.31120(30) 1_555 . 2_555 N DII'1 OII' DII'1 118.3112 1_555 . 3_555 N DII'1 OII' DII'2 104.00860(10) 1_555 . 1_555 N DII'1 OII' DII'2 68.3082 1_555 . 2_555 N DII'1 OII' DII'2 76.30200(10) 1_555 . 3_555 N DII'1 OII' DII'1 118.31120(30) 2_555 . 3_555 N DII'1 OII' DII'2 76.30200(20) 2_555 . 1_555 N DII'1 OII' DII'2 104.00860(30) 2_555 . 2_555 N DII'1 OII' DII'2 68.3082(4) 2_555 . 3_555 N DII'1 OII' DII'2 68.3082(5) 3_555 . 1_555 N DII'1 OII' DII'2 76.30200(30) 3_555 . 2_555 N DII'1 OII' DII'2 104.0086(5) 3_555 . 3_555 N DII'2 OII' DII'2 37.8753 1_555 . 2_555 N DII'2 OII' DII'2 37.8753 1_555 . 3_555 N DII'2 OII' DII'2 37.87530(10) 2_555 . 3_555 N OII' DII'2 DII'2 71.0623 1_555 . 2_555 N OII' DII'2 DII'2 71.0623(4) 1_555 . 3_555 N OII' DII'2 DII'2 141.38699(20) 1_555 . 111_533 N OII' DII'2 DII'2 158.4353 1_555 . -206_544 N DII'2 DII'2 DII'2 60.00000(20) 2_555 . 3_555 N DII'2 DII'2 DII'2 81.5276 2_555 . 111_533 N DII'2 DII'2 DII'2 119.7505 2_555 . -206_544 N DII'2 DII'2 DII'2 117.74440(10) 3_555 . 111_533 N DII'2 DII'2 DII'2 97.4069(5) 3_555 . -206_544 N DII'2 DII'2 DII'2 59.99990(20) 111_533 . -206_544 N DII*1 OII* DII*1 106.2148(4) 1_555 . 2_555 N DII*1 OII* DII*1 106.21480(10) 1_555 . 3_555 N DII*1 OII* DII*2 104.10810(10) 1_555 . 1_555 N DII*1 OII* DII*2 39.1622 1_555 . 2_555 N DII*1 OII* DII*2 69.35870(10) 1_555 . 3_555 N DII*1 OII* DII*1 106.21480(30) 2_555 . 3_555 N DII*1 OII* DII*2 69.3587 2_555 . 1_555 N DII*1 OII* DII*2 104.10810(20) 2_555 . 2_555 N DII*1 OII* DII*2 39.16220(30) 2_555 . 3_555 N DII*1 OII* DII*2 39.16220(30) 3_555 . 1_555 N DII*1 OII* DII*2 69.35870(10) 3_555 . 2_555 N DII*1 OII* DII*2 104.10810(30) 3_555 . 3_555 N DII*2 OII* DII*2 67.3432 1_555 . 2_555 N DII*2 OII* DII*2 67.3432 1_555 . 3_555 N DII*2 OII* DII*2 67.3432 2_555 . 3_555 N OII* DII*1 DII*2 70.4779 1_555 . 2_555 N OII* DII*2 DII*1 70.3599 1_555 . 3_555 N Db1 Ob Db2 104.4958 1_555 . 1_555 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Si1 O1 1.609(8) . 1_555 N Si1 O1 3.944(9) . -2_555 N Si1 O1 3.884(8) . -3_555 N Si1 O2 3.728(7) . 3_555 N Si1 O2 3.641(7) . 105_544 N Si1 O2 1.730(7) . -206_454 N Si1 O2 3.843(7) . -304_445 N Si1 O3 1.596(7) . 2_555 N Si1 O3 3.972(6) . -3_555 N Si1 O3 3.870(7) . 310_555 N Si1 O4 3.865(7) . 208_555 N Si1 O4 1.656(7) . 209_555 N Si1 O4 4.249(7) . 312_555 N Si1 SII 3.218(6) . -105_544 N Si1 SJ 2.922(24) . -206_454 N Si1 Oa 3.438(21) . -2_555 N Si1 OII' 3.858(5) . -105_544 N Si1 OII* 4.300(6) . -105_544 N Si1 Ob 3.81(4) . -112_534 N Si1 Ob 3.59(4) . -206_454 N Si1 Ob 3.76(4) . 304_445 N Si2 O1 3.806(8) . 2_555 N Si2 O1 3.731(9) . 3_555 N Si2 O1 1.712(9) . -1_555 N Si2 O1 4.302(10) . 209_555 N Si2 O2 3.828(8) . 2_555 N Si2 O2 1.602(8) . -105_544 N Si2 O2 3.572(7) . 206_454 N Si2 O2 3.903(8) . -304_445 N Si2 O3 4.298(8) . 1_555 N Si2 O3 1.740(8) . 3_555 N Si2 O3 3.805(7) . -2_555 N Si2 O3 3.933(8) . 312_555 N Si2 O4 1.698(8) . 107_555 N Si2 O4 3.862(7) . 111_555 N Si2 SI' 3.212(7) . 1_555 N Si2 SJ 2.974(26) . 2_555 N Si2 Oa 3.400(23) . 2_555 N Si2 OII' 3.949(6) . 107_555 N Si2 Ob 3.04(4) . 206_454 N Si2 Ob 4.17(5) . -304_445 N Si2 SIII 3.230(26) . 105_544 N Al1 O1 3.806(8) . 2_555 N Al1 O1 3.731(9) . 3_555 N Al1 O1 1.712(9) . -1_555 N Al1 O1 4.302(10) . 209_555 N Al1 O2 3.828(8) . 2_555 N Al1 O2 1.602(8) . -105_544 N Al1 O2 3.572(7) . 206_454 N Al1 O2 3.903(8) . -304_445 N Al1 O3 4.298(8) . 1_555 N Al1 O3 1.740(8) . 3_555 N Al1 O3 3.805(7) . -2_555 N Al1 O3 3.933(8) . 312_555 N Al1 O4 1.698(8) . 107_555 N Al1 O4 3.862(7) . 111_555 N Al1 O4 4.339(8) . -209_443 N Al1 O4 4.359(8) . 310_555 N Al1 SI' 3.212(7) . 1_555 N Al1 SJ 2.974(26) . 2_555 N Al1 Oa 3.400(23) . 2_555 N Al1 OII' 3.949(6) . 107_555 N Al1 OII* 4.408(7) . 107_555 N Al1 Ob 3.04(4) . 206_454 N Al1 Ob 4.17(5) . -304_445 N Al1 Ob 4.35(4) . -308_345 N Al1 SIII 3.230(26) . 105_544 N O1 Si1 1.609(8) . 1_555 N O1 Si1 3.884(8) . -2_555 N O1 Si1 3.944(9) . -3_555 N O1 Si2 3.731(9) . 2_555 N O1 Si2 3.806(8) . 3_555 N O1 Si2 1.712(9) . -1_555 N O1 Si2 4.302(10) . 107_555 N O1 Al1 3.731(9) . 2_555 N O1 Al1 3.806(8) . 3_555 N O1 Al1 1.712(9) . -1_555 N O1 Al1 4.302(10) . 107_555 N O1 O1 3.792(4) . -2_555 N O1 O1 3.792(4) . -3_555 N O1 O1 5.0924(34) . -209_443 N O1 O1 5.0924(34) . -307_445 N O1 O2 4.959(8) . 3_555 N O1 O2 5.189(9) . -2_555 N O1 O2 2.775(8) . 105_544 N O1 O2 2.685(8) . -206_454 N O1 O2 4.756(6) . 304_445 N O1 O2 4.636(6) . -304_445 N O1 O3 5.190(8) . 1_555 N O1 O3 2.681(6) . 2_555 N O1 O3 5.229(8) . -1_555 N O1 O3 2.874(6) . -3_555 N O1 O3 5.177(7) . 310_555 N O1 O3 5.315(7) . -312_434 N O1 O4 2.796(8) . -107_443 N O1 O4 4.768(9) . -111_434 N O1 O4 4.597(9) . 208_555 N O1 O4 2.642(8) . 209_555 N O1 O4 5.047(7) . 312_555 N O1 O4 5.183(7) . -310_344 N O1 SI 3.7871(34) . 1_555 N O1 SI' 4.300(6) . 1_555 N O1 SI' 4.404(6) . -1_555 N O1 SII 4.376(5) . -105_544 N O1 SII 4.545(5) . -107_443 N O1 SJ 2.909(31) . -2_555 N O1 SJ 2.770(29) . -206_454 N O1 Oa 5.676(23) . 1_555 N O1 Oa 5.156(22) . 3_555 N O1 Oa 2.445(22) . -2_555 N O1 Oa 4.642(20) . 212_544 N O1 Oa 4.218(20) . -206_454 N O1 Da1 3.196(23) . -2_555 N O1 Da2 1.791(28) . -2_555 N O1 OII' 5.441(5) . -105_544 N O1 OII' 5.624(5) . -107_443 N O1 OII* 4.803(5) . -105_544 N O1 OII* 4.921(5) . -107_443 N O1 Ob 3.79(4) . -112_534 N O1 Ob 2.62(4) . -206_454 N O1 Ob 3.45(4) . 304_445 N O1 Ob 4.56(4) . 308_544 N O1 Db1 2.90(5) . -112_534 N O1 Db1 3.01(7) . -206_454 N O1 Db2 1.72(5) . -206_454 N O1 Db2 3.53(8) . 304_445 N O1 SIII 3.390(13) . 102_544 N O1 SIII 3.271(14) . 206_454 N O2 Si1 3.728(7) . 2_555 N O2 Si1 1.730(7) . 111_555 N O2 Si1 3.641(7) . -108_544 N O2 Si1 3.843(7) . -304_445 N O2 Si2 3.828(8) . 3_555 N O2 Si2 1.602(8) . 208_555 N O2 Si2 3.572(7) . -211_454 N O2 Si2 3.903(8) . -304_445 N O2 Al1 3.828(8) . 3_555 N O2 Al1 1.602(8) . 208_555 N O2 Al1 3.572(7) . -211_454 N O2 Al1 3.903(8) . -304_445 N O2 O1 4.959(8) . 2_555 N O2 O1 4.756(6) . 4_555 N O2 O1 5.189(9) . -3_555 N O2 O1 2.685(8) . 111_555 N O2 O1 2.775(8) . -108_544 N O2 O1 4.636(6) . -304_445 N O2 O2 3.858(5) . 107_555 N O2 O2 3.997(6) . -109_543 N O2 O2 3.858(5) . 209_555 N O2 O2 3.997(6) . -207_453 N O2 O2 5.555(7) . -301_445 N O2 O2 3.597(7) . -304_445 N O2 O3 4.662(6) . 2_555 N O2 O3 4.556(6) . 3_555 N O2 O3 3.739(4) . 4_555 N O2 O3 2.688(6) . 111_555 N O2 O3 5.808(5) . -108_544 N O2 O3 2.699(6) . 208_555 N O2 O3 5.813(5) . -211_454 N O2 O3 5.200(4) . -304_445 N O2 O4 5.184(6) . -105_544 N O2 O4 5.163(6) . -206_454 N O2 O4 2.723(6) . 310_555 N O2 O4 2.810(6) . 312_555 N O2 O4 5.164(6) . -302_445 N O2 O4 5.141(6) . -303_445 N O2 SI 2.777(4) . 4_555 N O2 SI' 4.408(8) . 4_555 N O2 SI' 2.2795(34) . 111_555 N O2 SII 4.384(6) . 107_555 N O2 SII 4.447(6) . -105_544 N O2 SJ 4.292(23) . 1_555 N O2 SJ 4.250(24) . -304_445 N O2 Oa 5.497(21) . 1_555 N O2 Oa 5.805(19) . -3_555 N O2 Oa 4.854(21) . -108_544 N O2 Oa 4.599(22) . -304_445 N O2 Da2 3.722(23) . -304_445 N O2 OII' 4.9580(28) . 1_555 N O2 OII' 3.7774(33) . 107_555 N O2 OII' 5.8400(31) . 111_555 N O2 OII' 3.8027(34) . -105_544 N O2 DII'1 3.2964(33) . 209_555 N O2 DII'1 2.8942(32) . -206_454 N O2 DII'1 3.6360(33) . 312_555 N O2 DII'2 3.7514(30) . -105_544 N O2 OII* 5.840(5) . 107_555 N O2 OII* 5.909(5) . -105_544 N O2 Ob 5.11(4) . 1_555 N O2 Ob 4.28(4) . 105_544 N O2 Ob 5.56(5) . 209_555 N O2 Ob 3.53(4) . -207_453 N O2 Db2 3.27(8) . -207_453 N O2 SIII 3.351(30) . 304_445 N O3 Si1 1.596(7) . 3_555 N O3 Si1 3.972(6) . -2_555 N O3 Si1 3.870(7) . 310_555 N O3 Si2 4.298(8) . 1_555 N O3 Si2 1.740(8) . 2_555 N O3 Si2 3.805(7) . -3_555 N O3 Si2 3.933(8) . 312_555 N O3 Al1 4.298(8) . 1_555 N O3 Al1 1.740(8) . 2_555 N O3 Al1 3.805(7) . -3_555 N O3 Al1 3.933(8) . 312_555 N O3 O1 5.190(8) . 1_555 N O3 O1 2.681(6) . 3_555 N O3 O1 5.229(8) . -1_555 N O3 O1 2.874(6) . -2_555 N O3 O1 5.315(7) . -212_454 N O3 O1 5.177(7) . 310_555 N O3 O2 4.556(6) . 2_555 N O3 O2 4.662(6) . 3_555 N O3 O2 5.808(5) . 105_544 N O3 O2 2.699(6) . -105_544 N O3 O2 5.813(5) . 206_454 N O3 O2 2.688(6) . -206_454 N O3 O2 3.739(4) . 304_445 N O3 O2 5.200(4) . -304_445 N O3 O3 5.128(5) . 2_555 N O3 O3 5.128(5) . 3_555 N O3 O3 4.988(5) . -2_555 N O3 O3 4.988(5) . -3_555 N O3 O3 3.890(5) . 107_555 N O3 O3 3.890(5) . 209_555 N O3 O4 5.119(6) . 107_555 N O3 O4 2.628(6) . 111_555 N O3 O4 2.662(6) . 208_555 N O3 O4 5.209(6) . 209_555 N O3 O4 5.126(4) . -304_445 N O3 O4 5.158(6) . -310_344 N O3 O4 5.079(6) . -312_434 N O3 SI 3.5770(25) . 1_555 N O3 SI' 2.9639(29) . 1_555 N O3 SII 2.3657(34) . 111_555 N O3 SJ 3.976(24) . 3_555 N O3 SJ 3.900(23) . -105_544 N O3 Oa 4.575(23) . 3_555 N O3 Oa 4.268(20) . -1_555 N O3 Oa 5.446(22) . -105_544 N O3 Oa 5.504(20) . -307_445 N O3 Da2 3.676(27) . 3_555 N O3 OII' 5.8545(33) . 1_555 N O3 OII' 4.8851(33) . 107_555 N O3 OII' 3.2234(33) . 111_555 N O3 OII' 4.9071(35) . -105_544 N O3 DII'1 2.9408(35) . 111_555 N O3 DII'1 3.3325(33) . -304_445 N O3 DII'2 3.7229(33) . 208_555 N O3 OII* 3.6802(26) . 111_555 N O3 DII*1 3.6062(28) . 208_555 N O3 Ob 3.68(5) . -105_544 N O3 Ob 5.98(4) . -112_534 N O3 Ob 5.36(4) . 206_454 N O3 Ob 5.26(4) . 207_445 N O3 Ob 4.71(4) . 304_445 N O3 Ob 5.25(4) . -308_345 N O3 Db2 3.13(6) . -105_544 N O3 SIII 4.817(27) . 105_544 N O3 SIII 4.897(27) . 206_454 N O3 SIII 4.3697(34) . 301_445 N O4 Si1 1.656(7) . 107_555 N O4 Si1 3.865(7) . -105_544 N O4 Si1 4.249(7) . 312_555 N O4 Si2 1.698(8) . 209_555 N O4 Si2 3.862(7) . -206_454 N O4 Al1 1.698(8) . 209_555 N O4 Al1 3.862(7) . -206_454 N O4 Al1 4.359(8) . 310_555 N O4 Al1 4.339(8) . -307_445 N O4 O1 4.768(9) . 6_555 N O4 O1 2.642(8) . 107_555 N O4 O1 4.597(9) . -105_544 N O4 O1 5.183(7) . -110_544 N O4 O1 5.047(7) . 312_555 N O4 O1 2.796(8) . -309_445 N O4 O2 5.163(6) . 111_555 N O4 O2 5.141(6) . -102_544 N O4 O2 5.184(6) . 208_555 N O4 O2 5.164(6) . -203_454 N O4 O2 2.723(6) . 310_555 N O4 O2 2.810(6) . 312_555 N O4 O3 5.209(6) . 107_555 N O4 O3 2.662(6) . -105_544 N O4 O3 5.158(6) . -110_544 N O4 O3 5.119(6) . 209_555 N O4 O3 2.628(6) . -206_454 N O4 O3 5.079(6) . -212_454 N O4 O3 5.126(4) . -304_445 N O4 O4 4.955(5) . 2_555 N O4 O4 4.955(5) . 3_555 N O4 O4 5.2998(32) . -7_455 N O4 O4 5.2998(32) . -9_545 N O4 O4 3.837(7) . -304_445 N O4 SI' 4.451(4) . 107_555 N O4 SI' 4.417(4) . -105_544 N O4 SII 2.8769(33) . 1_555 N O4 SJ 4.642(31) . 6_555 N O4 SJ 4.590(31) . -102_544 N O4 SJ 1.984(20) . 312_555 N O4 Oa 3.299(19) . 6_555 N O4 Oa 5.681(19) . -102_544 N O4 Oa 5.581(21) . 310_555 N O4 Oa 3.155(22) . 312_555 N O4 Da1 3.283(30) . 312_555 N O4 Da2 3.437(33) . 6_555 N O4 Da2 2.279(27) . 312_555 N O4 OII' 3.9680(29) . 1_555 N O4 OII' 5.0898(33) . 111_555 N O4 DII'1 3.4967(31) . 3_555 N O4 OII* 3.784(4) . 1_555 N O4 DII*1 3.590(4) . 2_555 N O4 Ob 2.84(4) . -102_544 N O4 Ob 4.86(4) . 208_555 N O4 Ob 4.11(4) . 312_555 N O4 Ob 5.56(5) . -306_445 N O4 Ob 3.69(4) . -311_435 N O4 Db1 2.41(9) . -102_544 N O4 Db2 2.69(7) . -102_544 N O4 Db2 3.28(5) . 312_555 N O4 SIII 2.747(26) . -112_534 N SI O1 3.7871(34) . 1_555 N SI O1 3.7871(34) . 2_555 N SI O1 3.7871(34) . 3_555 N SI O1 3.7871(34) . -1_555 N SI O1 3.7871(34) . -2_555 N SI O1 3.7871(34) . -3_555 N SI O2 2.777(4) . 105_544 N SI O2 2.777(4) . -105_544 N SI O2 2.777(4) . 206_454 N SI O2 2.777(4) . -206_454 N SI O2 2.777(4) . 304_445 N SI O2 2.777(4) . -304_445 N SI O3 3.5770(25) . 1_555 N SI O3 3.5770(25) . 2_555 N SI O3 3.5770(25) . 3_555 N SI O3 3.5770(25) . -1_555 N SI O3 3.5770(25) . -2_555 N SI O3 3.5770(25) . -3_555 N SI SI' 2.145(8) . 1_555 N SI SI' 2.145(8) . -1_555 N SI' Si2 3.212(7) . 1_555 N SI' Si2 3.212(7) . 2_555 N SI' Si2 3.212(7) . 3_555 N SI' Al1 3.212(7) . 1_555 N SI' Al1 3.212(7) . 2_555 N SI' Al1 3.212(7) . 3_555 N SI' O1 4.300(6) . 1_555 N SI' O1 4.300(6) . 2_555 N SI' O1 4.300(6) . 3_555 N SI' O1 4.404(6) . -1_555 N SI' O1 4.404(6) . -2_555 N SI' O1 4.404(6) . -3_555 N SI' O2 4.408(8) . 105_544 N SI' O2 2.2795(34) . -105_544 N SI' O2 4.408(8) . 206_454 N SI' O2 2.2795(34) . -206_454 N SI' O2 4.408(8) . 304_445 N SI' O2 2.2795(34) . -304_445 N SI' O3 2.9639(29) . 1_555 N SI' O3 2.9639(29) . 2_555 N SI' O3 2.9639(29) . 3_555 N SI' O4 4.417(4) . 107_555 N SI' O4 4.451(4) . 111_555 N SI' O4 4.417(4) . 208_555 N SI' O4 4.451(4) . 209_555 N SI' O4 4.451(4) . 310_555 N SI' O4 4.417(4) . 312_555 N SI' SI 2.145(8) . 1_555 N SI' OII' 3.147(7) . 107_555 N SI' OII' 3.147(7) . 111_555 N SI' OII' 3.147(7) . -105_544 N SI' DII'1 2.477(7) . 111_555 N SI' DII'1 2.477(7) . 209_555 N SI' DII'1 2.477(7) . 310_555 N SII Si1 3.218(6) . 107_555 N SII Si1 3.218(6) . 208_555 N SII Si1 3.218(6) . 312_555 N SII O1 4.376(5) . 107_555 N SII O1 4.545(5) . -110_544 N SII O1 4.376(5) . 208_555 N SII O1 4.545(5) . -211_454 N SII O1 4.376(5) . 312_555 N SII O1 4.545(5) . -309_445 N SII O2 4.447(6) . 107_555 N SII O2 4.384(6) . 111_555 N SII O2 4.447(6) . 208_555 N SII O2 4.384(6) . 209_555 N SII O2 4.384(6) . 310_555 N SII O2 4.447(6) . 312_555 N SII O3 2.3657(34) . -105_544 N SII O3 2.3657(34) . -206_454 N SII O3 2.3657(34) . -304_445 N SII O4 2.8769(33) . 1_555 N SII O4 2.8769(33) . 2_555 N SII O4 2.8769(33) . 3_555 N SII Oa 4.907(20) . 4_555 N SII Oa 4.907(20) . 5_555 N SII Oa 4.907(20) . 6_555 N SII OII' 3.054(7) . 1_555 N SII OII* 2.173(7) . 1_555 N SII Ob 4.62(4) . 107_555 N SII Ob 4.62(4) . 208_555 N SII Ob 4.62(4) . 312_555 N SJ Si1 2.922(24) . 111_555 N SJ Si2 2.974(26) . 3_555 N SJ Al1 2.974(26) . 3_555 N SJ O1 2.909(31) . -3_555 N SJ O1 2.770(29) . 111_555 N SJ O2 4.292(23) . 1_555 N SJ O2 4.250(24) . -304_445 N SJ O3 3.976(24) . 2_555 N SJ O3 3.900(23) . 208_555 N SJ O4 4.642(31) . -111_434 N SJ O4 1.984(20) . 312_555 N SJ O4 4.590(31) . -303_445 N SJ SJ 3.279(21) . 105_544 N SJ SJ 3.279(21) . -108_544 N SJ Oa 1.624(33) . 1_555 N SJ Oa 4.067(31) . 105_544 N SJ Oa 1.755(34) . -108_544 N SJ Oa 4.358(32) . -305_444 N SJ Da1 1.37(4) . 1_555 N SJ Da1 2.32(4) . -108_544 N SJ Da2 1.27(4) . 1_555 N SJ Da2 2.35(4) . -108_544 N SJ OII* 3.793(21) . -105_544 N SJ Ob 3.34(5) . 1_555 N SJ Ob 2.42(5) . 105_544 N SJ Ob 4.53(5) . -206_454 N SJ Ob 3.74(4) . -207_453 N SJ Ob 4.49(5) . 308_544 N SJ Db1 1.75(6) . 105_544 N SJ Db2 2.65(7) . 1_555 N SJ Db2 2.23(7) . 105_544 N SJ SIII 2.881(22) . 304_445 N Oa Si1 3.438(21) . -3_555 N Oa Si2 3.400(23) . 3_555 N Oa Al1 3.400(23) . 3_555 N Oa O1 5.676(23) . 1_555 N Oa O1 5.156(22) . 2_555 N Oa O1 2.445(22) . -3_555 N Oa O1 4.218(20) . 111_555 N Oa O1 4.642(20) . 212_544 N Oa O2 5.497(21) . 1_555 N Oa O2 5.805(19) . -2_555 N Oa O2 4.854(21) . 105_544 N Oa O2 4.599(22) . -304_445 N Oa O3 4.575(23) . 2_555 N Oa O3 4.268(20) . -1_555 N Oa O3 5.446(22) . 208_555 N Oa O3 5.504(20) . -209_443 N Oa O4 3.299(19) . -111_434 N Oa O4 5.581(21) . 310_555 N Oa O4 3.155(22) . 312_555 N Oa O4 5.681(19) . -303_445 N Oa SII 4.907(20) . -111_434 N Oa SJ 1.624(33) . 1_555 N Oa SJ 1.755(34) . 105_544 N Oa SJ 4.067(31) . -108_544 N Oa SJ 4.358(32) . 308_544 N Oa Oa 2.793(22) . 105_544 N Oa Oa 2.793(22) . -108_544 N Oa Oa 5.43(4) . -201_453 N Oa Oa 4.66(4) . 308_544 N Oa Oa 5.99(4) . -304_445 N Oa Oa 4.66(4) . -305_444 N Oa Da1 0.95997 . 1_555 N Oa Da1 2.043(31) . 105_544 N Oa Da1 2.820(31) . -108_544 N Oa Da2 0.960780(10) . 1_555 N Oa Da2 2.900(31) . 105_544 N Oa Da2 3.526(31) . -108_544 N Oa OII* 4.833(22) . -105_544 N Oa OII* 4.291(21) . -111_434 N Oa OII* 5.853(20) . -301_445 N Oa DII*1 3.432(21) . -208_344 N Oa DII*2 3.757(21) . 304_445 N Oa Ob 4.71(4) . 1_555 N Oa Ob 2.10(4) . 105_544 N Oa Ob 5.52(5) . -201_453 N Oa Ob 4.22(4) . -206_454 N Oa Ob 4.01(4) . -207_453 N Oa Ob 3.56(5) . 308_544 N Oa Ob 5.82(5) . -310_344 N Oa Db1 2.01(6) . 105_544 N Oa Db1 2.68(5) . 308_544 N Oa Db2 1.63(8) . 105_544 N Oa Db2 3.71(7) . 308_544 N Oa SIII 3.790(21) . 102_544 N Oa SIII 3.113(22) . 304_445 N Da1 O1 3.196(23) . -3_555 N Da1 O4 3.283(30) . 312_555 N Da1 SJ 1.37(4) . 1_555 N Da1 SJ 2.32(4) . 105_544 N Da1 Oa 0.959970(10) . 1_555 N Da1 Oa 2.820(31) . 105_544 N Da1 Oa 2.043(31) . -108_544 N Da1 Da2 1.518660(10) . 1_555 N Da1 Ob 2.75(5) . 105_544 N Da1 Ob 3.71(5) . 308_544 N Da2 O1 1.791(28) . -3_555 N Da2 O2 3.722(23) . -304_445 N Da2 O3 3.676(27) . 2_555 N Da2 O4 3.437(33) . -111_434 N Da2 O4 2.279(27) . 312_555 N Da2 SJ 1.27(4) . 1_555 N Da2 SJ 2.35(4) . 105_544 N Da2 Oa 0.960780(10) . 1_555 N Da2 Oa 3.526(31) . 105_544 N Da2 Oa 2.900(31) . -108_544 N Da2 Da1 1.51866 . 1_555 N Da2 Ob 1.88(5) . 105_544 N Da2 Db2 1.25(7) . 105_544 N OII' Si1 3.858(5) . 107_555 N OII' Si1 3.858(5) . 208_555 N OII' Si1 3.858(5) . 312_555 N OII' Si2 3.949(6) . 111_555 N OII' Si2 3.949(6) . 209_555 N OII' Si2 3.949(6) . 310_555 N OII' Al1 3.949(6) . 111_555 N OII' Al1 3.949(6) . 209_555 N OII' Al1 3.949(6) . 310_555 N OII' O1 5.441(5) . 107_555 N OII' O1 5.624(5) . -110_544 N OII' O1 5.441(5) . 208_555 N OII' O1 5.624(5) . -211_454 N OII' O1 5.441(5) . 312_555 N OII' O1 5.624(5) . -309_445 N OII' O2 4.9580(28) . 1_555 N OII' O2 4.9580(28) . 2_555 N OII' O2 4.9580(28) . 3_555 N OII' O2 3.8027(34) . 107_555 N OII' O2 3.7774(33) . 111_555 N OII' O2 5.8400(31) . -105_544 N OII' O2 3.8027(34) . 208_555 N OII' O2 3.7774(33) . 209_555 N OII' O2 5.8400(31) . -206_454 N OII' O2 3.7774(33) . 310_555 N OII' O2 3.8027(34) . 312_555 N OII' O2 5.8400(31) . -304_445 N OII' O3 5.8545(33) . 1_555 N OII' O3 5.8545(33) . 2_555 N OII' O3 5.8545(33) . 3_555 N OII' O3 4.9071(35) . 107_555 N OII' O3 4.8851(33) . 111_555 N OII' O3 3.2234(33) . -105_544 N OII' O3 4.9071(35) . 208_555 N OII' O3 4.8851(33) . 209_555 N OII' O3 3.2234(33) . -206_454 N OII' O3 4.8851(33) . 310_555 N OII' O3 4.9071(35) . 312_555 N OII' O3 3.2234(33) . -304_445 N OII' O4 3.9680(29) . 1_555 N OII' O4 3.9680(29) . 2_555 N OII' O4 3.9680(29) . 3_555 N OII' O4 5.0898(33) . -105_544 N OII' O4 5.0898(33) . -206_454 N OII' O4 5.0898(33) . -304_445 N OII' SI' 3.147(7) . 107_555 N OII' SI' 3.147(7) . 111_555 N OII' SI' 3.147(7) . -105_544 N OII' SII 3.054(7) . 1_555 N OII' OII' 2.648840(10) . 107_555 N OII' OII' 2.648840(20) . 111_555 N OII' OII' 2.648840(10) . -105_544 N OII' DII'1 0.962730(10) . 1_555 N OII' DII'1 0.96273 . 2_555 N OII' DII'1 0.96273 . 3_555 N OII' DII'1 2.158880(10) . 107_555 N OII' DII'1 3.105730(20) . 111_555 N OII' DII'1 2.808340(10) . -105_544 N OII' DII'1 2.158880(10) . 208_555 N OII' DII'1 3.105730(10) . 209_555 N OII' DII'1 2.808340(10) . -206_454 N OII' DII'1 3.105730(20) . 310_555 N OII' DII'1 2.158880(10) . 312_555 N OII' DII'1 2.808340(20) . -304_445 N OII' DII'2 0.967820(10) . 1_555 N OII' DII'2 0.967820(10) . 2_555 N OII' DII'2 0.96782 . 3_555 N OII' DII'2 2.273550(10) . 107_555 N OII' DII'2 1.839030(10) . 111_555 N OII' DII'2 1.914210(10) . -105_544 N OII' DII'2 2.273550(10) . 208_555 N OII' DII'2 1.839030(10) . 209_555 N OII' DII'2 1.914210(10) . -206_454 N OII' DII'2 1.839030(10) . 310_555 N OII' DII'2 2.273550(10) . 312_555 N OII' DII'2 1.914210(10) . -304_445 N OII' OII* 5.227170(20) . 1_555 N DII'1 O2 3.2964(33) . 107_555 N DII'1 O2 2.8942(32) . 111_555 N DII'1 O2 3.6360(33) . 312_555 N DII'1 O3 2.9408(35) . -206_454 N DII'1 O3 3.3325(33) . -304_445 N DII'1 O4 3.4967(31) . 2_555 N DII'1 SI' 2.477(7) . 107_555 N DII'1 OII' 0.962730(10) . 1_555 N DII'1 OII' 3.105730(20) . 107_555 N DII'1 OII' 2.808340(20) . 111_555 N DII'1 OII' 2.158880(10) . -105_544 N DII'1 DII'1 1.558190(10) . 312_555 N DII'1 DII'2 1.521380(10) . 1_555 N DII'1 DII'2 1.083860(10) . 2_555 N DII'1 DII'2 1.192570(10) . 3_555 N DII'1 DII'2 1.531790(10) . 209_555 N DII'2 O2 3.7514(30) . 208_555 N DII'2 O3 3.7229(33) . -105_544 N DII'2 OII' 0.967820(10) . 1_555 N DII'2 OII' 1.839030(10) . 107_555 N DII'2 OII' 1.914210(10) . 111_555 N DII'2 OII' 2.273550(10) . -105_544 N DII'2 DII'1 1.521380(10) . 1_555 N DII'2 DII'1 1.192570(10) . 2_555 N DII'2 DII'1 1.083860(10) . 3_555 N DII'2 DII'1 1.531780(10) . 107_555 N DII'2 DII'2 0.62819 . 2_555 N DII'2 DII'2 0.62819 . 3_555 N DII'2 DII'2 1.389330(10) . 107_555 N DII'2 DII'2 0.980800(10) . 111_555 N DII'2 DII'2 1.402870(10) . -105_544 N DII'2 DII'2 1.402870(10) . 208_555 N DII'2 DII'2 1.389330(10) . 209_555 N DII'2 DII'2 0.9808 . -206_454 N DII'2 DII'2 1.083990(10) . 310_555 N DII'2 DII'2 1.231030(10) . -304_445 N OII* Si1 4.300(6) . 107_555 N OII* Si1 4.300(6) . 208_555 N OII* Si1 4.300(6) . 312_555 N OII* Al1 4.408(7) . 111_555 N OII* Al1 4.408(7) . 209_555 N OII* Al1 4.408(7) . 310_555 N OII* O1 4.803(5) . 107_555 N OII* O1 4.921(5) . -110_544 N OII* O1 4.803(5) . 208_555 N OII* O1 4.921(5) . -211_454 N OII* O1 4.803(5) . 312_555 N OII* O1 4.921(5) . -309_445 N OII* O2 5.909(5) . 107_555 N OII* O2 5.840(5) . 111_555 N OII* O2 5.909(5) . 208_555 N OII* O2 5.840(5) . 209_555 N OII* O2 5.840(5) . 310_555 N OII* O2 5.909(5) . 312_555 N OII* O3 3.6802(26) . -105_544 N OII* O3 3.6802(26) . -206_454 N OII* O3 3.6802(26) . -304_445 N OII* O4 3.784(4) . 1_555 N OII* O4 3.784(4) . 2_555 N OII* O4 3.784(4) . 3_555 N OII* SII 2.173(7) . 1_555 N OII* SJ 3.793(21) . 107_555 N OII* SJ 3.793(21) . 208_555 N OII* SJ 3.793(21) . 312_555 N OII* Oa 4.291(21) . 4_555 N OII* Oa 4.291(21) . 5_555 N OII* Oa 4.291(21) . 6_555 N OII* Oa 4.833(22) . 107_555 N OII* Oa 5.853(20) . -102_544 N OII* Oa 4.833(22) . 208_555 N OII* Oa 5.853(20) . -203_454 N OII* Oa 4.833(22) . 312_555 N OII* Oa 5.853(20) . -301_445 N OII* OII' 5.227170(20) . 1_555 N OII* DII*1 0.963530(10) . 1_555 N OII* DII*1 0.96353 . 2_555 N OII* DII*1 0.963530(10) . 3_555 N OII* DII*2 0.964240(10) . 1_555 N OII* DII*2 0.964240(10) . 2_555 N OII* DII*2 0.964240(10) . 3_555 N OII* Ob 3.89(4) . 107_555 N OII* Ob 5.98(4) . -102_544 N OII* Ob 5.07(4) . -104_544 N OII* Ob 3.89(4) . 208_555 N OII* Ob 5.98(4) . -203_454 N OII* Ob 5.07(4) . -205_454 N OII* Ob 3.89(4) . 312_555 N OII* Ob 5.98(4) . -301_445 N OII* Ob 5.07(4) . -306_445 N OII* SIII 4.731(26) . 1_555 N OII* SIII 4.731(26) . 2_555 N OII* SIII 4.731(26) . 3_555 N DII*1 O3 3.6062(28) . -105_544 N DII*1 O4 3.590(4) . 3_555 N DII*1 Oa 3.432(21) . 5_555 N DII*1 OII* 0.963530(10) . 1_555 N DII*1 DII*1 1.541190(10) . 2_555 N DII*1 DII*1 1.541190(10) . 3_555 N DII*1 DII*2 1.520220(10) . 1_555 N DII*1 DII*2 0.64608 . 2_555 N DII*1 DII*2 1.096870(10) . 3_555 N DII*1 Ob 3.03(4) . 208_555 N DII*2 Oa 3.757(21) . 4_555 N DII*2 OII* 0.964240(10) . 1_555 N DII*2 DII*1 1.520220(10) . 1_555 N DII*2 DII*1 1.096870(10) . 2_555 N DII*2 DII*1 0.64608 . 3_555 N DII*2 DII*2 1.069210(10) . 2_555 N DII*2 DII*2 1.06921 . 3_555 N DII*2 Ob 3.55(4) . 107_555 N DII*2 Ob 3.72(4) . 312_555 N Ob Si1 3.76(4) . 4_555 N Ob Si1 3.81(4) . -12_554 N Ob Si1 3.59(4) . 111_555 N Ob Si2 3.04(4) . -211_454 N Ob Si2 4.17(5) . -304_445 N Ob Al1 4.35(4) . 205_554 N Ob Al1 3.04(4) . -211_454 N Ob Al1 4.17(5) . -304_445 N Ob O1 3.45(4) . 4_555 N Ob O1 3.79(4) . -12_554 N Ob O1 2.62(4) . 111_555 N Ob O1 4.56(4) . -305_444 N Ob O2 5.11(4) . 1_555 N Ob O2 5.56(5) . 107_555 N Ob O2 4.28(4) . -108_544 N Ob O2 3.53(4) . -109_543 N Ob O3 4.71(4) . 4_555 N Ob O3 5.26(4) . 9_554 N Ob O3 5.98(4) . -12_554 N Ob O3 5.25(4) . 205_554 N Ob O3 3.68(5) . 208_555 N Ob O3 5.36(4) . -211_454 N Ob O4 3.69(4) . 106_554 N Ob O4 4.86(4) . -105_544 N Ob O4 5.56(5) . 311_554 N Ob O4 4.11(4) . 312_555 N Ob O4 2.84(4) . -303_445 N Ob SII 4.62(4) . -105_544 N Ob SJ 3.34(5) . 1_555 N Ob SJ 4.53(5) . 111_555 N Ob SJ 2.42(5) . -108_544 N Ob SJ 3.74(4) . -109_543 N Ob SJ 4.49(5) . -305_444 N Ob Oa 4.71(4) . 1_555 N Ob Oa 4.22(4) . 111_555 N Ob Oa 2.10(4) . -108_544 N Ob Oa 4.01(4) . -109_543 N Ob Oa 5.82(5) . -110_544 N Ob Oa 5.52(5) . -201_453 N Ob Oa 3.56(5) . -305_444 N Ob Da1 2.75(5) . -108_544 N Ob Da1 3.71(5) . -305_444 N Ob Da2 1.88(5) . -108_544 N Ob OII* 5.07(4) . 8_554 N Ob OII* 3.89(4) . -105_544 N Ob OII* 5.98(4) . -301_445 N Ob DII*1 3.03(4) . -105_544 N Ob DII*2 3.55(4) . 209_555 N Ob DII*2 3.72(4) . 312_555 N Ob Ob 5.38(6) . 105_544 N Ob Ob 2.14(8) . 110_554 N Ob Ob 5.38(6) . -108_544 N Ob Ob 5.67(5) . -109_543 N Ob Ob 5.67(5) . -207_453 N Ob Db1 0.959990(10) . 1_555 N Ob Db1 2.10(9) . 110_554 N Ob Db2 0.960750(10) . 1_555 N Ob Db2 3.07(8) . 110_554 N Ob SIII 1.18(4) . 8_554 N Db1 O1 2.90(5) . -12_554 N Db1 O1 3.01(7) . 111_555 N Db1 O4 2.41(9) . -303_445 N Db1 SJ 1.75(6) . -108_544 N Db1 Oa 2.01(6) . -108_544 N Db1 Oa 2.68(5) . -305_444 N Db1 Ob 0.959990(10) . 1_555 N Db1 Ob 2.10(9) . 110_554 N Db1 Db2 1.518670(10) . 1_555 N Db1 SIII 1.26(5) . 8_554 N Db2 O1 3.53(8) . 4_555 N Db2 O1 1.72(5) . 111_555 N Db2 O2 3.27(8) . -109_543 N Db2 O3 3.13(6) . 208_555 N Db2 O4 3.28(5) . 312_555 N Db2 O4 2.69(7) . -303_445 N Db2 SJ 2.65(7) . 1_555 N Db2 SJ 2.23(7) . -108_544 N Db2 Oa 1.63(8) . -108_544 N Db2 Oa 3.71(7) . -305_444 N Db2 Da2 1.25(7) . -108_544 N Db2 Ob 0.960750(10) . 1_555 N Db2 Ob 3.07(8) . 110_554 N Db2 Db1 1.518670(10) . 1_555 N Db2 SIII 1.99(5) . 8_554 N SIII Si2 3.230(26) . -108_544 N SIII Si2 3.230(26) . -303_445 N SIII Al1 3.230(26) . -108_544 N SIII Al1 3.230(26) . -303_445 N SIII O1 3.390(13) . 208_555 N SIII O1 3.271(14) . -211_454 N SIII O1 3.390(13) . 303_555 N SIII O1 3.271(14) . -302_445 N SIII O2 3.351(30) . 4_555 N SIII O2 3.351(30) . -301_445 N SIII O3 4.817(27) . -108_544 N SIII O3 4.897(27) . -211_454 N SIII O3 4.3697(34) . 301_555 N SIII O3 4.897(27) . -302_445 N SIII O3 4.817(27) . -303_445 N SIII O3 4.3697(34) . -304_445 N SIII O4 2.747(26) . -10_554 N SIII O4 2.747(26) . -12_554 N SIII SJ 2.881(22) . 4_555 N SIII SJ 2.881(22) . -301_445 N SIII Oa 3.113(22) . 4_555 N SIII Oa 3.790(21) . 208_555 N SIII Oa 3.790(21) . 303_555 N SIII Oa 3.113(22) . -301_445 N SIII OII* 4.731(26) . 1_555 N SIII OII* 4.731(26) . -4_555 N SIII Ob 1.18(4) . 107_555 N SIII Ob 1.18(4) . -205_454 N SIII Db1 1.26(5) . 107_555 N SIII Db1 1.26(5) . -205_454 N SIII Db2 1.99(5) . 107_555 N SIII Db2 1.99(5) . -205_454 N loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 0.0(20) . . . 0.0(30) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 0.0(20) . . . 4.0(20) . . . 4.0(20) . . . 7.0(20) . . . 9.0(20) . . . 10.0(20) . . . 11.0(20) . . . 13.0(20) . . . 16.0(20) . . . 16.0(20) . . . 19.0(20) . . . 20.0(20) . . . 22.0(20) . . . 22.0(20) . . . 27.0(20) . . . 26.0(20) . . . 32.0(20) . . . 34.0(20) . . . 40.0(20) . . . 38.0(20) . . . 42.0(20) . . . 44.0(20) . . . 47.0(20) . . . 47.0(20) . . . 47.0(20) . . . 52.0(20) . . . 50.0(20) . . . 50.0(20) . . . 52.0(20) . . . 53.0(20) . . . 50.0(20) . . . 50.0(20) . . . 50.0(20) . . . 49.0(20) . . . 47.0(20) . . . 48.0(30) . . . 53.0(20) . . . 54.0(30) . . . 54.0(30) . . . 57.0(30) . . . 57.0(30) . . . 60.0(30) . . . 59.0(30) . . . 63.0(30) . . . 66.0(30) . . . 67.0(30) . . . 68.0(30) . . . 68.0(30) . . . 73.0(30) . . . 78.0(30) . . . 79.0(30) . . . 83(4) . . . 94(4) . . . 104(4) . . . 123(4) . . . 128(5) . . . 144(5) . . . 159(5) . . . 166(5) . . . 186(5) . . . 199(5) . . . 211(6) . . . 227(6) . . . 241(6) . . . 255(6) . . . 267(6) . . . 280(6) . . . 295(6) . . . 303(6) . . . 321(6) . . . 329(6) . . . 337(6) . . . 338(6) . . . 351(7) . . . 353(7) . . . 368(7) . . . 379(7) . . . 384(7) . . . 389(7) . . . 399(7) . . . 416(7) . . . 416(7) . . . 421(7) . . . 422(7) . . . 430(7) . . . 441(7) . . . 440(7) . . . 443(7) . . . 445(7) . . . 417(7) . . . 424(7) . . . 414(7) . . . 406(7) 0.0 -5741.1 . 421(7) 0.0 -5587.8 . 422(7) 0.0 -5438.0 . 427(7) 0.0 -5291.5 . 408(7) 0.0 -5148.4 . 396(7) 0.0 -5008.5 . 398(7) 0.0 -4871.8 . 399(7) 0.0 -4738.3 . 405(7) 0.0 -4607.8 . 398(7) 0.0 -4480.2 . 397(7) 0.0 -4355.7 . 382(6) 0.0 -4234.0 . 387(6) 0.0 -4115.1 . 387(7) 0.0 -3999.0 . 375(6) 0.0 -3885.6 . 382(6) 0.0 -3774.9 . 382(6) 0.0 -3666.7 . 382(6) 0.0 -3561.1 . 372(6) 0.0 -3458.0 . 372(6) 0.0 -3357.3 . 360(6) 0.0 -3259.0 . 359(6) 0.0 -3163.1 . 362(6) 0.0 -3069.4 . 359(6) 0.0 -2978.0 . 361(6) 0.0 -2888.8 . 364(6) 0.0 -2801.7 . 371(6) 0.0 -2716.7 . 360(6) 0.0 -2633.8 . 363(6) 0.0 -2552.9 . 355(6) 0.0 -2474.0 . 365(6) 0.0 -2397.0 . 363(6) 0.0 -2321.9 . 356(6) 0.0 -2248.7 . 359(6) 0.0 -2177.3 . 359(6) 0.0 -2107.6 . 348(6) 0.0 -2039.7 . 346(6) 0.0 -1973.4 . 352(6) 0.0 -1908.8 . 343(6) 0.0 -1845.9 . 343(6) 0.0 -1784.5 . 358(6) 0.0 -1724.7 . 352(6) 0.0 -1666.4 . 349(6) 0.0 -1609.6 . 345(6) 0.0 -1554.2 . 358(6) 0.0 -1500.3 . 369(6) 0.0 -1447.7 . 365(6) 0.0 -1396.5 . 360(7) 0.0 -1346.6 . 367(7) 0.0 -1298.0 . 377(7) 0.0 -1250.7 . 383(7) 0.0 -1204.7 . 398(7) 0.0 -1159.8 . 413(7) 0.0 -1116.1 . 418(7) 0.0 -1073.6 . 426(7) 0.0 -1032.2 . 443(8) 0.0 -991.9 . 464(8) 0.0 -952.7 . 466(8) 0.0 -914.6 . 502(8) 0.0 -877.5 . 538(9) 0.0 -841.3 . 583(9) 0.0 -806.2 . 628(10) 0.0 -772.0 . 719(11) 0.0 -738.8 . 817(11) 0.0 -706.5 . 945(13) 0.0 -675.0 . 1113(14) 0.0 -644.5 . 1292(15) 0.0 -614.8 . 1507(16) 0.0 -585.9 . 1767(17) 0.0 -557.8 . 2088(18) 0.0 -530.6 . 2502(20) 0.0 -504.1 . 2970(21) 0.0 -478.3 . 3469(23) 0.0 -453.3 . 4113(25) 0.0 -429.0 . 4996(28) 0.0 -405.4 . 6084(31) 0.0 -382.5 . 7305(33) 0.0 -360.3 . 8517(35) 0.0 -338.7 . 9517(36) 0.0 -318. . 9887(35) 0.0 -297.4 . 9614(33) 0.0 -277.7 . 8570(29) 0.0 -258.5 . 7045(25) 0.0 -239.9 . 5310(19) 0.0 -221.9 . 3753(15) 0.0 -204.5 . 2496(11) 0.0 -187.5 . 1626(9) 0.0 -171.1 . 1079(8) 0.0 -155.2 . 782(8) 0.0 -139.7 . 602(8) 0.0 -124.8 . 519(7) 0.0 -110.3 . 471(7) 0.0 -96.3 . 437(7) 0.0 -82.7 . 401(7) 0.0 -69.5 . 393(7) 0.0 -56.8 . 368(7) 0.0 -44.4 . 358(7) 0.0 -32.5 . 344(7) 0.0 -20.9 . 333(6) 0.0 -9.8 . 333(7) 0.0 1.1 . 333(6) 0.0 11.5 . 324(6) 0.0 21.6 . 325(6) 0.0 31.4 . 319(6) 0.0 40.8 . 318(7) 0.0 50.0 . 313(6) 0.0 58.8 . 313(6) 0.0 67.3 . 308(7) 0.0 75.5 . 300(6) 0.0 83.5 . 305(6) 0.0 91.1 . 302(6) 0.0 98.5 . 297(6) 0.0 105.6 . 299(6) 0.0 112.5 . 293(6) 0.0 119.2 . 284(6) 0.0 125.5 . 285(6) 0.0 131.7 . 291(6) 0.0 137.6 . 297(6) 0.0 143.4 . 291(6) 0.0 148.9 . 288(6) 0.0 154.2 . 278(6) 0.0 159.3 . 270(5) 0.0 164.2 . 282(6) 0.0 168.9 . 284(6) 0.0 173.4 . 276(6) 0.0 177.8 . 278(6) 0.0 181.9 . 280(6) 0.0 186.0 . 281(6) 0.0 189.8 . 283(6) 0.0 193.5 . 272(6) 0.0 197.1 . 267(6) 0.0 200.5 . 272(5) 0.0 203.7 . 274(6) 0.0 206.8 . 269(6) 0.0 209.8 . 267(6) 0.0 212.7 . 270(6) 0.0 215.4 . 274(6) 0.0 218.0 . 267(6) 0.0 220.5 . 263(6) 0.0 222.9 . 258(5) 0.0 225.2 . 261(5) 0.0 227.4 . 269(5) 0.0 229.4 . 273(6) 0.0 231.4 . 272(5) 0.0 233.3 . 269(5) 0.0 235.1 . 267(5) 0.0 236.7 . 261(5) 0.0 238.4 . 259(5) 0.0 239.9 . 263(5) 0.0 241.3 . 264(5) 0.0 242.7 . 260(5) 0.0 244.0 . 267(5) 0.0 245.2 . 273(6) 0.0 246.4 . 268(6) 0.0 247.5 . 269(6) 0.0 248.5 . 268(5) 0.0 249.4 . 271(5) 0.0 250.4 . 265(5) 0.0 251.2 . 272(5) 0.0 252.0 . 272(6) 0.0 252.7 . 271(5) 0.0400 253.4 264.4 271(5) 0.0400 254.1 265.2 272(5) 0.0400 254.7 266.0 263(5) 0.0400 255.2 266.8 256(5) 0.0400 255.7 267.5 256(5) 0.0400 256.2 268.3 263(5) 0.0400 256.6 269.0 274(5) 0.0400 257.0 269.8 272(6) 0.02778 257.3 270.5 265(5) 0.0400 257.7 271.3 267(5) 0.0400 257.9 272.1 270(5) 0.0400 258.2 273.0 270(6) 0.02778 258.4 273.9 266(5) 0.0400 258.6 274.8 270(6) 0.02778 258.8 275.9 273(5) 0.0400 258.9 277.0 277(5) 0.0400 259.0 278.2 273(6) 0.02778 259.1 279.6 282(6) 0.02778 259.2 281.2 288(5) 0.0400 259.2 282.9 273(6) 0.02778 259.3 285.0 278(6) 0.02778 259.3 287.3 297(6) 0.02778 259.2 290.1 299(6) 0.02778 259.2 293.4 303(6) 0.02778 259.2 297.4 315(6) 0.02778 259.1 302.4 314(6) 0.02778 259.0 309.0 344(7) 0.02041 258.9 318.4 369(7) 0.02041 258.8 333.3 394(7) 0.02041 258.7 358.7 447(7) 0.02041 258.6 402.6 531(8) 0.01563 258.4 476.0 612(10) 0.01000 258.3 591.3 751(10) 0.01000 258.1 760.1 958(12) 0.00694 257.9 991.8 1221(12) 0.00694 257.8 1288.8 1542(14) 0.00510 257.6 1644.1 1977(16) 0.00391 257.4 2044.4 2342(17) 0.003460 257.2 2453.0 2638(17) 0.003460 257.0 2775.0 2780(18) 0.003086 256.7 2872.6 2699(17) 0.003460 256.5 2672.7 2355(15) 0.00444 256.3 2242.3 1869(13) 0.00592 256.1 1724.0 1371(10) 0.01000 255.8 1244.5 939(8) 0.01563 255.6 873.7 640(7) 0.02041 255.3 625.1 490(7) 0.02041 255.1 477.0 405(6) 0.02778 254.8 396.2 363(6) 0.02778 254.6 353.8 330(6) 0.02778 254.3 330.7 313(6) 0.02778 254.1 316.7 299(6) 0.02778 253.8 307.1 285(6) 0.02778 253.5 299.9 278(6) 0.02778 253.3 294.2 288(6) 0.02778 253.0 289.4 284(6) 0.02778 252.8 285.5 278(6) 0.02778 252.5 282.2 277(6) 0.02778 252.2 279.3 273(5) 0.0400 252.0 276.9 267(5) 0.0400 251.7 274.7 269(5) 0.0400 251.5 272.9 265(5) 0.0400 251.2 271.3 258(5) 0.0400 250.9 269.8 264(5) 0.0400 250.7 268.6 256(5) 0.0400 250.4 267.5 262(5) 0.0400 250.1 266.5 265(5) 0.0400 249.9 265.6 260(5) 0.0400 249.6 264.9 261(5) 0.0400 249.4 264.2 259(5) 0.0400 249.1 263.7 253(5) 0.0400 248.9 263.2 254(5) 0.0400 248.6 262.8 256(5) 0.0400 248.4 262.6 250(5) 0.0400 248.1 262.4 253(5) 0.0400 247.9 262.4 253(5) 0.0400 247.6 262.5 250(5) 0.0400 247.4 262.8 249(5) 0.0400 247.1 263.2 260(5) 0.0400 246.9 263.9 259(5) 0.0400 246.7 264.9 259(6) 0.02778 246.4 266.4 275(6) 0.02778 246.2 268.7 271(6) 0.02778 246.0 272.7 277(6) 0.02778 245.7 279.6 296(6) 0.02778 245.5 292.1 322(6) 0.02778 245.3 313.6 351(7) 0.02041 245.1 348.8 398(7) 0.02041 244.8 402.3 475(8) 0.01563 244.6 478.0 547(8) 0.01563 244.4 575.3 665(9) 0.01235 244.2 687.2 772(10) 0.01000 244.0 800.9 871(10) 0.01000 243.8 894.8 915(10) 0.01000 243.5 935.7 906(10) 0.01000 243.3 898.1 825(9) 0.01235 243.1 792.6 701(8) 0.01563 242.9 656.6 562(7) 0.02041 242.7 526.3 435(6) 0.02778 242.5 422.9 363(6) 0.02778 242.3 352.2 304(5) 0.0400 242.1 309.4 269(5) 0.0400 241.9 285.7 267(6) 0.02778 241.7 273.4 270(5) 0.0400 241.5 266.8 264(5) 0.0400 241.3 263.1 260(5) 0.0400 241.1 260.9 266(6) 0.02778 240.9 259.6 279(6) 0.02778 240.8 258.7 280(6) 0.02778 240.6 258.1 270(6) 0.02778 240.4 257.4 271(5) 0.0400 240.2 256.2 270(5) 0.0400 240.0 254.6 266(6) 0.02778 239.8 252.7 259(5) 0.0400 239.6 250.9 256(5) 0.0400 239.5 249.3 253(5) 0.0400 239.3 248.0 247(5) 0.0400 239.1 247.0 243(5) 0.0400 238.9 246.2 242(5) 0.0400 238.7 245.6 252(5) 0.0400 238.6 245.1 251(5) 0.0400 238.4 244.6 245(5) 0.0400 238.2 244.2 245(5) 0.0400 238.0 243.8 238(5) 0.0400 237.9 243.5 235(5) 0.0400 237.7 243.1 240(5) 0.0400 237.5 242.8 237(5) 0.0400 237.3 242.5 243(5) 0.0400 237.2 242.2 243(5) 0.0400 237.0 241.9 235(5) 0.0400 236.8 241.6 242(6) 0.02778 236.6 241.4 246(5) 0.0400 236.5 241.1 235(5) 0.0400 236.3 240.9 238(5) 0.0400 236.1 240.6 239(5) 0.0400 236.0 240.4 241(6) 0.02778 235.8 240.2 243(6) 0.02778 235.6 240.0 241(5) 0.0400 235.5 239.8 229(6) 0.02778 235.3 239.6 234(5) 0.0400 235.1 239.4 242(6) 0.02778 234.9 239.2 243(5) 0.0400 234.8 239.0 239(6) 0.02778 234.6 238.8 240(6) 0.02778 234.4 238.6 244(6) 0.02778 234.3 238.4 243(5) 0.0400 234.1 238.3 244(6) 0.02778 233.9 238.1 241(5) 0.0400 233.8 237.9 235(5) 0.0400 233.6 237.8 235(5) 0.0400 233.4 237.6 235(5) 0.0400 233.2 237.5 239(6) 0.02778 233.1 237.3 243(6) 0.02778 232.9 237.2 242(5) 0.0400 232.7 237.1 237(5) 0.0400 232.6 237.0 229(5) 0.0400 232.4 236.8 234(5) 0.0400 232.2 236.7 234(5) 0.0400 232.1 236.6 234(5) 0.0400 231.9 236.5 235(5) 0.0400 231.7 236.4 235(5) 0.0400 231.5 236.3 238(5) 0.0400 231.4 236.3 242(5) 0.0400 231.2 236.3 239(5) 0.0400 231.0 236.3 235(5) 0.0400 230.8 236.4 238(5) 0.0400 230.7 236.5 237(5) 0.0400 230.5 236.7 237(5) 0.0400 230.3 236.9 235(5) 0.0400 230.2 237.1 232(5) 0.0400 230.0 237.2 231(5) 0.0400 229.8 237.1 235(5) 0.0400 229.6 237.0 231(5) 0.0400 229.5 236.8 241(5) 0.0400 229.3 236.6 237(5) 0.0400 229.1 236.5 243(5) 0.0400 228.9 236.5 240(5) 0.0400 228.8 236.5 246(5) 0.0400 228.6 236.7 231(5) 0.0400 228.4 236.8 230(5) 0.0400 228.2 237.1 234(5) 0.0400 228.0 237.4 239(5) 0.0400 227.9 237.7 249(5) 0.0400 227.7 238.1 251(5) 0.0400 227.5 238.6 241(5) 0.0400 227.3 239.2 249(5) 0.0400 227.2 239.9 243(5) 0.0400 227.0 240.6 236(5) 0.0400 226.8 241.5 237(5) 0.0400 226.6 242.6 239(5) 0.0400 226.4 243.8 242(5) 0.0400 226.3 245.3 248(5) 0.0400 226.1 247.0 242(5) 0.0400 225.9 249.1 256(5) 0.0400 225.7 251.6 259(5) 0.0400 225.5 254.6 260(5) 0.0400 225.4 258.3 272(6) 0.02778 225.2 262.9 269(5) 0.0400 225.0 268.9 273(6) 0.02778 224.8 277.1 297(6) 0.02778 224.7 289.4 312(6) 0.02778 224.5 309.7 352(7) 0.02041 224.3 345.7 429(7) 0.02041 224.1 409.9 533(8) 0.01563 223.9 520.6 706(10) 0.01000 223.8 698.4 951(11) 0.00826 223.6 958.6 1280(13) 0.00592 223.4 1295.5 1657(14) 0.00510 223.2 1668.8 1996(15) 0.00444 223.1 2005.8 2167(16) 0.00391 222.9 2212.1 2177(15) 0.00444 222.7 2194.4 1973(14) 0.00510 222.5 1942.6 1604(13) 0.00592 222.3 1556.6 1170(10) 0.01000 222.2 1158.4 806(8) 0.01563 222.0 826.9 544(7) 0.02041 221.8 591.1 405(6) 0.02778 221.6 443.6 336(6) 0.02778 221.5 360.2 302(6) 0.02778 221.3 315.6 282(6) 0.02778 221.1 291.6 271(5) 0.0400 221.0 277.4 263(5) 0.0400 220.8 268.0 264(5) 0.0400 220.6 261.0 259(5) 0.0400 220.4 255.6 251(5) 0.0400 220.3 251.1 242(5) 0.0400 220.1 247.4 253(5) 0.0400 219.9 244.4 247(5) 0.0400 219.8 241.7 239(5) 0.0400 219.6 239.5 230(5) 0.0400 219.4 237.5 230(5) 0.0400 219.3 235.8 235(5) 0.0400 219.1 234.3 243(5) 0.0400 218.9 233.0 235(5) 0.0400 218.8 231.8 241(5) 0.0400 218.6 230.8 239(5) 0.0400 218.4 229.8 238(5) 0.0400 218.3 229.0 242(5) 0.0400 218.1 228.2 234(5) 0.0400 218.0 227.4 235(5) 0.0400 217.8 226.8 227(5) 0.0400 217.6 226.2 229(5) 0.0400 217.5 225.6 223(5) 0.0400 217.3 225.1 221(5) 0.0400 217.2 224.6 230(5) 0.0400 217.0 224.1 220(5) 0.0400 216.9 223.7 220(5) 0.0400 216.7 223.3 220(5) 0.0400 216.6 223.0 223(5) 0.0400 216.4 222.6 224(5) 0.0400 216.3 222.3 217(5) 0.0400 216.1 222.0 225(5) 0.0400 216.0 221.8 216(5) 0.0400 215.8 221.5 222(5) 0.0400 215.7 221.3 223(5) 0.0400 215.6 221.1 219(5) 0.0400 215.4 221.0 219(5) 0.0400 215.3 220.8 226(5) 0.0400 215.1 220.8 220(5) 0.0400 215.0 220.8 221(5) 0.0400 214.9 220.8 217(5) 0.0400 214.7 221.1 223(5) 0.0400 214.6 221.6 225(5) 0.0400 214.5 222.7 227(5) 0.0400 214.3 224.9 227(5) 0.0400 214.2 228.9 231(5) 0.0400 214.1 235.4 245(5) 0.0400 213.9 245.1 262(5) 0.0400 213.8 257.5 277(6) 0.02778 213.7 271.0 283(6) 0.02778 213.6 282.6 293(6) 0.02778 213.4 288.3 279(6) 0.02778 213.3 285.4 270(5) 0.0400 213.2 274.5 260(5) 0.0400 213.1 260.1 246(5) 0.0400 213.0 246.2 230(5) 0.0400 212.8 235.1 233(5) 0.0400 212.7 227.5 222(5) 0.0400 212.6 222.8 213(5) 0.0400 212.5 220.2 225(5) 0.0400 212.4 218.7 216(5) 0.0400 212.3 217.9 228(5) 0.0400 212.2 217.4 219(5) 0.0400 212.1 217.0 223(5) 0.0400 212.0 216.7 216(5) 0.0400 211.9 216.4 218(5) 0.0400 211.8 216.2 221(5) 0.0400 211.7 216.1 217(5) 0.0400 211.6 216.0 218(5) 0.0400 211.5 215.9 211(5) 0.0400 211.4 215.9 217(5) 0.0400 211.3 215.9 219(5) 0.0400 211.2 216.0 215(5) 0.0400 211.1 216.1 216(5) 0.0400 211.0 216.4 223(5) 0.0400 210.9 216.9 223(5) 0.0400 210.8 217.8 225(5) 0.0400 210.7 219.6 224(5) 0.0400 210.7 222.9 223(5) 0.0400 210.6 228.6 238(5) 0.0400 210.5 237.6 243(5) 0.0400 210.4 250.4 268(6) 0.02778 210.3 266.0 283(6) 0.02778 210.3 281.6 299(6) 0.02778 210.2 293.1 312(6) 0.02778 210.1 296.1 291(6) 0.02778 210.0 288.5 284(5) 0.0400 210.0 273.5 260(5) 0.0400 209.9 256.6 232(5) 0.0400 209.8 241.7 224(5) 0.0400 209.8 230.7 217(5) 0.0400 209.7 223.5 219(5) 0.0400 209.6 219.3 214(5) 0.0400 209.6 217.0 214(5) 0.0400 209.5 215.8 214(5) 0.0400 209.5 215.1 215(5) 0.0400 209.4 214.6 205(5) 0.0400 209.3 214.3 210(5) 0.0400 209.3 214.0 212(5) 0.0400 209.2 213.8 207(5) 0.0400 209.2 213.7 214(5) 0.0400 209.1 213.6 216(5) 0.0400 209.1 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0.0625 164.3 189.6 180(4) 0.0625 164.3 186.5 183(4) 0.0625 164.4 184.0 183(4) 0.0625 164.4 182.3 183(4) 0.0625 164.5 181.2 182(4) 0.0625 164.6 180.7 181(4) 0.0625 164.6 180.5 192(4) 0.0625 164.7 180.8 185(4) 0.0625 164.7 181.3 183(4) 0.0625 164.8 182.2 191(4) 0.0625 164.8 183.4 190(4) 0.0625 164.9 185.2 194(4) 0.0625 164.9 187.9 196(4) 0.0625 165.0 191.7 204(5) 0.0400 165.1 197.3 207(5) 0.0400 165.1 205.5 226(5) 0.0400 165.2 216.8 248(5) 0.0400 165.2 231.8 265(5) 0.0400 165.3 250.5 291(5) 0.0400 165.3 272.0 300(5) 0.0400 165.4 294.2 324(6) 0.02778 165.5 313.0 333(6) 0.02778 165.5 322.9 322(6) 0.02778 165.6 320.3 304(6) 0.02778 165.7 306.5 286(5) 0.0400 165.7 286.7 262(5) 0.0400 165.8 266.0 241(5) 0.0400 165.8 247.5 240(5) 0.0400 165.9 232.9 224(5) 0.0400 166.0 222.8 214(5) 0.0400 166.0 217.2 217(5) 0.0400 166.1 216.0 224(5) 0.0400 166.2 218.9 225(5) 0.0400 166.2 225.5 245(5) 0.0400 166.3 235.8 249(5) 0.0400 166.3 249.0 268(5) 0.0400 166.4 264.4 275(5) 0.0400 166.5 280.0 295(5) 0.0400 166.5 293.5 315(6) 0.02778 166.6 303.8 301(5) 0.0400 166.7 311.4 309(6) 0.02778 166.7 317.1 321(6) 0.02778 166.8 320.0 315(6) 0.02778 166.9 317.3 292(5) 0.0400 166.9 306.9 282(5) 0.0400 167.0 290.1 269(5) 0.0400 167.1 270.4 251(5) 0.0400 167.1 251.1 236(5) 0.0400 167.2 234.2 221(5) 0.0400 167.3 220.5 207(5) 0.0400 167.4 209.9 207(5) 0.0400 167.4 202.2 200(4) 0.0625 167.5 196.8 193(4) 0.0625 167.6 193.2 193(4) 0.0625 167.6 190.7 195(4) 0.0625 167.7 189.1 198(4) 0.0625 167.8 188.1 196(4) 0.0625 167.8 187.5 185(4) 0.0625 167.9 187.1 186(4) 0.0625 168.0 187.0 182(4) 0.0625 168.0 187.1 190(4) 0.0625 168.1 187.4 183(4) 0.0625 168.2 187.8 189(4) 0.0625 168.3 188.4 195(4) 0.0625 168.3 189.2 185(4) 0.0625 168.4 190.2 190(4) 0.0625 168.5 191.4 197(4) 0.0625 168.5 192.8 192(4) 0.0625 168.6 194.6 199(4) 0.0625 168.7 196.7 203(4) 0.0625 168.8 199.4 218(5) 0.0400 168.8 202.7 215(5) 0.0400 168.9 207.0 231(5) 0.0400 169.0 212.7 230(5) 0.0400 169.0 220.6 243(5) 0.0400 169.1 231.6 264(5) 0.0400 169.2 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276.0 288(6) 0.02778 185.5 282.5 293(6) 0.02778 185.6 288.2 300(6) 0.02778 185.7 292.9 306(6) 0.02778 185.8 296.4 302(6) 0.02778 185.9 298.7 294(6) 0.02778 186.0 300.3 297(6) 0.02778 186.1 301.5 293(6) 0.02778 186.1 303.1 295(6) 0.02778 186.2 305.5 291(6) 0.02778 186.3 309.4 295(6) 0.02778 186.4 315.2 308(6) 0.02778 186.5 323.2 312(6) 0.02778 186.6 333.9 323(6) 0.02778 186.7 347.2 339(6) 0.02778 186.8 363.2 366(7) 0.02041 186.9 381.9 397(7) 0.02041 187.0 402.8 429(7) 0.02041 187.1 425.5 465(8) 0.01563 187.2 449.2 509(8) 0.01563 187.4 472.8 524(8) 0.01563 187.5 494.8 557(8) 0.01563 187.6 513.6 559(8) 0.01563 187.7 527.3 598(9) 0.01235 187.8 534.4 580(9) 0.01235 187.9 533.9 564(8) 0.01563 188.0 525.9 541(8) 0.01563 188.1 511.2 511(8) 0.01563 188.2 491.3 479(8) 0.01563 188.3 468.0 459(8) 0.01563 188.4 442.8 423(7) 0.02041 188.5 417.2 391(7) 0.02041 188.6 392.2 360(7) 0.02041 188.7 368.5 334(7) 0.02041 188.8 346.6 308(6) 0.02778 188.9 326.8 302(6) 0.02778 189.0 309.2 291(6) 0.02778 189.2 293.8 275(6) 0.02778 189.3 280.6 258(6) 0.02778 189.4 269.4 256(6) 0.02778 189.5 260.0 245(6) 0.02778 189.6 252.2 245(6) 0.02778 189.7 245.8 240(5) 0.0400 189.8 240.6 248(6) 0.02778 189.9 236.4 240(5) 0.0400 190.0 233.0 232(5) 0.0400 190.1 230.2 225(5) 0.0400 190.3 228.0 224(5) 0.0400 190.4 226.2 233(6) 0.02778 190.5 224.7 223(6) 0.02778 190.6 223.6 220(6) 0.02778 190.7 222.6 220(6) 0.02778 190.8 221.9 221(6) 0.02778 190.9 221.4 214(6) 0.02778 191.0 221.0 219(6) 0.02778 191.1 220.8 219(6) 0.02778 191.3 220.8 225(6) 0.02778 191.4 220.9 213(6) 0.02778 191.5 221.3 216(6) 0.02778 191.6 221.8 214(6) 0.02778 191.7 222.6 220(6) 0.02778 191.8 223.6 231(6) 0.02778 191.9 225.0 219(6) 0.02778 192.0 226.8 225(6) 0.02778 192.2 229.0 236(6) 0.02778 192.3 231.7 226(6) 0.02778 192.4 235.0 222(6) 0.02778 192.5 238.9 232(6) 0.02778 192.6 243.4 233(6) 0.02778 192.7 248.8 238(6) 0.02778 192.8 254.8 242(6) 0.02778 192.9 261.7 258(6) 0.02778 193.0 269.3 289(6) 0.02778 193.2 277.5 287(6) 0.02778 193.3 286.3 293(6) 0.02778 193.4 295.4 312(7) 0.02041 193.5 304.5 316(7) 0.02041 193.6 313.4 334(7) 0.02041 193.7 321.5 355(7) 0.02041 193.8 328.3 358(7) 0.02041 193.9 333.2 358(7) 0.02041 194.0 335.9 359(7) 0.02041 194.2 336.1 342(7) 0.02041 194.3 333.7 342(7) 0.02041 194.4 329.2 332(7) 0.02041 194.5 322.8 324(7) 0.02041 194.6 315.2 307(7) 0.02041 194.7 306.8 294(6) 0.02778 194.8 298.1 296(6) 0.02778 194.9 289.5 286(6) 0.02778 195.0 281.2 277(6) 0.02778 195.1 273.4 269(6) 0.02778 195.2 266.3 261(6) 0.02778 195.3 259.9 250(6) 0.02778 195.5 254.2 234(6) 0.02778 195.6 249.3 243(6) 0.02778 195.7 245.1 241(6) 0.02778 195.8 241.7 232(6) 0.02778 195.9 238.8 230(6) 0.02778 196.0 236.6 232(6) 0.02778 196.1 234.9 240(6) 0.02778 196.2 233.7 241(6) 0.02778 196.3 233.0 228(6) 0.02778 196.4 232.6 228(6) 0.02778 196.5 232.5 231(6) 0.02778 196.6 232.8 228(6) 0.02778 196.7 233.3 229(6) 0.02778 196.8 234.1 232(6) 0.02778 196.9 235.1 234(6) 0.02778 197.0 236.4 241(6) 0.02778 197.1 237.9 239(6) 0.02778 197.2 239.6 226(6) 0.02778 197.3 241.5 241(6) 0.02778 197.4 243.6 240(6) 0.02778 197.4 246.0 240(6) 0.02778 197.5 248.5 249(6) 0.02778 197.6 251.3 254(6) 0.02778 197.7 254.4 261(6) 0.02778 197.8 257.8 247(6) 0.02778 197.9 261.5 253(6) 0.02778 198.0 265.8 267(6) 0.02778 198.1 270.7 268(6) 0.02778 198.2 276.4 281(6) 0.02778 198.3 283.2 295(7) 0.02041 198.3 291.3 292(6) 0.02778 198.4 300.7 305(7) 0.02041 198.5 311.9 333(7) 0.02041 198.6 324.7 327(7) 0.02041 198.7 339.5 354(7) 0.02041 198.8 356.3 375(7) 0.02041 198.8 375.0 384(7) 0.02041 198.9 395.6 404(8) 0.01563 199.0 417.9 430(8) 0.01563 199.1 441.7 453(8) 0.01563 199.1 466.5 483(8) 0.01563 199.2 491.6 515(8) 0.01563 199.3 516.3 544(9) 0.01235 199.4 539.6 571(9) 0.01235 199.4 560.2 580(9) 0.01235 199.5 576.8 587(9) 0.01235 199.6 588.3 581(9) 0.01235 199.6 593.6 585(9) 0.01235 199.7 592.3 571(9) 0.01235 199.8 584.5 571(9) 0.01235 199.8 571.0 545(9) 0.01235 199.9 552.8 525(9) 0.01235 200.0 531.2 499(9) 0.01235 200.0 507.4 468(8) 0.01563 200.1 482.7 454(8) 0.01563 200.2 457.9 435(8) 0.01563 200.2 433.7 417(8) 0.01563 200.3 410.7 397(8) 0.01563 200.3 389.4 370(7) 0.02041 200.4 369.8 350(7) 0.02041 200.4 352.2 337(7) 0.02041 200.5 336.7 320(7) 0.02041 200.5 323.1 313(7) 0.02041 200.6 311.6 313(7) 0.02041 200.6 302.0 312(7) 0.02041 200.7 294.2 297(7) 0.02041 200.7 288.0 294(6) 0.02778 200.8 283.5 291(6) 0.02778 200.8 280.4 303(7) 0.02041 200.9 278.6 295(6) 0.02778 200.9 278.1 294(7) 0.02041 201.0 278.7 292(6) 0.02778 201.0 280.5 294(7) 0.02041 201.0 283.2 287(6) 0.02778 201.1 286.9 299(6) 0.02778 201.1 291.4 299(7) 0.02041 201.2 296.7 323(7) 0.02041 201.2 302.7 326(7) 0.02041 201.2 309.2 321(7) 0.02041 201.3 316.1 331(6) 0.02778 201.3 323.2 347(7) 0.02041 201.3 330.2 343(6) 0.02778 201.4 336.8 354(7) 0.02041 201.4 342.6 354(7) 0.02041 201.4 347.3 361(7) 0.02041 201.4 350.6 349(7) 0.02041 201.5 352.1 354(7) 0.02041 201.5 351.7 361(7) 0.02041 201.5 349.5 343(7) 0.02041 201.5 345.5 337(6) 0.02778 201.6 340.1 340(7) 0.02041 201.6 333.7 322(6) 0.02778 201.6 326.6 316(6) 0.02778 201.6 319.1 303(6) 0.02778 201.6 311.6 302(6) 0.02778 201.7 304.3 297(6) 0.02778 201.7 297.3 287(6) 0.02778 201.7 290.9 275(6) 0.02778 201.7 285.1 273(6) 0.02778 201.7 279.9 273(6) 0.02778 201.7 275.5 269(6) 0.02778 201.7 271.7 261(6) 0.02778 201.8 268.7 269(6) 0.02778 201.8 266.3 274(6) 0.02778 201.8 264.6 262(6) 0.02778 201.8 263.3 261(6) 0.02778 201.8 262.6 268(6) 0.02778 201.8 262.2 267(6) 0.02778 201.8 262.1 268(6) 0.02778 201.8 262.2 265(6) 0.02778 201.8 262.4 260(6) 0.02778 201.8 262.6 270(6) 0.02778 201.8 262.8 276(6) 0.02778 201.8 262.9 278(6) 0.02778 201.9 262.9 267(6) 0.02778 201.9 262.8 269(6) 0.02778 201.9 262.5 269(6) 0.02778 201.9 262.0 264(6) 0.02778 201.9 261.3 263(6) 0.02778 201.9 260.5 267(6) 0.02778 201.9 259.4 270(6) 0.02778 201.9 258.2 269(6) 0.02778 201.9 257.0 250(6) 0.02778 201.9 255.6 254(6) 0.02778 201.9 254.3 255(6) 0.02778 201.9 253.1 255(6) 0.02778 201.9 252.1 250(6) 0.02778 201.9 251.2 245(6) 0.02778 201.9 250.6 237(6) 0.02778 201.9 250.3 244(6) 0.02778 201.9 250.3 249(6) 0.02778 201.9 250.6 243(6) 0.02778 201.9 251.4 249(6) 0.02778 201.9 252.5 248(6) 0.02778 202.0 254.1 260(6) 0.02778 202.0 256.2 257(6) 0.02778 202.0 258.7 268(6) 0.02778 202.0 261.7 266(6) 0.02778 202.0 265.2 268(6) 0.02778 202.0 269.2 270(6) 0.02778 202.0 273.6 279(6) 0.02778 202.0 278.5 280(6) 0.02778 202.0 283.8 285(6) 0.02778 202.1 289.4 293(6) 0.02778 202.1 295.4 308(7) 0.02041 202.1 301.6 311(7) 0.02041 202.1 307.9 305(7) 0.02041 202.1 314.3 312(7) 0.02041 202.1 320.4 327(7) 0.02041 202.2 326.2 329(7) 0.02041 202.2 331.6 332(7) 0.02041 202.2 336.3 344(7) 0.02041 202.2 340.3 347(7) 0.02041 202.3 343.6 344(7) 0.02041 202.3 346.2 347(8) 0.01563 202.3 348.3 350(8) 0.01563 202.4 350.0 348(8) 0.01563 202.4 351.8 351(8) 0.01563 202.4 353.8 356(8) 0.01563 202.5 356.3 349(8) 0.01563 202.5 359.5 350(8) 0.01563 202.6 363.8 359(8) 0.01563 202.6 369.2 359(8) 0.01563 202.6 376.0 371(8) 0.01563 202.7 384.1 378(8) 0.01563 202.7 393.8 377(8) 0.01563 202.8 404.8 401(8) 0.01563 202.8 417.3 414(8) 0.01563 202.9 431.1 429(8) 0.01563 203.0 446.0 440(9) 0.01235 203.0 461.8 458(9) 0.01235 203.1 478.2 480(9) 0.01235 203.2 494.7 489(9) 0.01235 203.2 510.9 499(9) 0.01235 203.3 526.2 523(9) 0.01235 203.4 539.9 528(9) 0.01235 203.5 551.4 545(9) 0.01235 203.5 560.1 555(10) 0.01000 203.6 565.4 564(10) 0.01000 203.7 567.2 545(10) 0.01000 203.8 565.2 571(11) 0.00826 203.9 559.7 543(10) 0.01000 204.0 550.9 533(10) 0.01000 204.1 539.5 522(10) 0.01000 204.2 525.8 511(10) 0.01000 204.3 510.4 507(10) 0.01000 204.4 493.8 495(10) 0.01000 204.5 476.5 458(10) 0.01000 204.6 458.8 456(9) 0.01235 204.7 441.0 436(10) 0.01000 204.8 423.5 420(9) 0.01235 205.0 406.5 399(9) 0.01235 205.1 390.1 392(9) 0.01235 205.2 374.6 361(9) 0.01235 205.4 360.0 346(8) 0.01563 205.5 346.5 351(8) 0.01563 205.6 334.0 327(8) 0.01563 205.8 322.6 319(8) 0.01563 205.9 312.3 327(8) 0.01563 206.1 303.1 314(8) 0.01563 206.2 294.9 299(8) 0.01563 206.4 287.6 285(8) 0.01563 206.5 281.2 275(7) 0.02041 206.7 275.6 288(8) 0.01563 206.8 270.8 271(8) 0.01563 207.0 266.6 269(7) 0.02041 207.2 263.0 273(7) 0.02041 207.3 260.0 279(8) 0.01563 207.5 257.4 272(7) 0.02041 207.7 255.2 259(7) 0.02041 207.9 253.4 250(7) 0.02041 208.1 251.9 254(7) 0.02041 208.2 250.7 252(7) 0.02041 208.4 249.7 247(7) 0.02041 208.6 248.9 254(7) 0.02041 208.8 248.3 243(7) 0.02041 209.0 247.9 258(7) 0.02041 209.2 247.6 253(7) 0.02041 209.4 247.4 251(7) 0.02041 209.6 247.2 256(7) 0.02041 209.8 247.2 256(7) 0.02041 210.0 247.1 241(7) 0.02041 210.2 247.1 232(7) 0.02041 210.4 247.2 244(7) 0.02041 210.6 247.2 247(7) 0.02041 210.8 247.2 243(7) 0.02041 211.0 247.3 245(7) 0.02041 211.2 247.3 235(7) 0.02041 211.4 247.4 235(7) 0.02041 211.6 247.6 253(8) 0.01563 211.8 247.8 230(8) 0.01563 212.0 248.1 247(8) 0.01563 212.2 248.5 254(8) 0.01563 212.4 249.1 253(8) 0.01563 212.6 249.8 256(8) 0.01563 212.8 250.7 252(8) 0.01563 213.0 251.8 246(8) 0.01563 213.2 253.1 241(8) 0.01563 213.4 254.6 238(8) 0.01563 213.6 256.3 240(8) 0.01563 213.7 258.3 246(8) 0.01563 213.9 260.6 256(8) 0.01563 214.1 263.1 256(8) 0.01563 214.2 265.9 278(8) 0.01563 214.4 269.0 279(8) 0.01563 214.6 272.3 277(8) 0.01563 214.7 275.9 282(8) 0.01563 214.8 279.7 274(8) 0.01563 215.0 283.7 288(8) 0.01563 215.1 287.9 290(8) 0.01563 215.2 292.2 296(9) 0.01235 215.3 296.7 306(9) 0.01235 215.4 301.1 301(9) 0.01235 215.5 305.5 306(9) 0.01235 215.6 309.8 316(10) 0.01000 215.7 314.0 321(10) 0.01000 215.7 317.8 330(10) 0.01000 215.8 321.3 336(11) 0.00826 215.8 324.4 369(11) 0.00826 215.8 326.8 353(11) 0.00826 215.8 328.6 332(11) 0.00826 215.8 329.6 336(11) 0.00826 215.7 329.7 355(11) 0.00826 215.7 329.1 335(11) 0.00826 215.6 327.6 349(11) 0.00826 215.5 325.3 337(11) 0.00826 215.4 322.3 308(10) 0.01000 215.3 318.7 314(10) 0.01000 215.1 314.7 309(10) 0.01000 214.9 310.4 332(10) 0.01000 214.7 305.7 298(10) 0.01000 214.5 301.0 291(10) 0.01000 214.3 296.3 278(10) 0.01000 214.0 291.5 289(10) 0.01000 213.7 286.9 270(10) 0.01000 213.3 282.5 274(10) 0.01000 213.0 278.2 276(9) 0.01235 212.6 274.2 276(10) 0.01000 212.1 270.4 258(9) 0.01235 211.6 266.9 262(11) 0.00826 211.1 263.7 259(11) 0.00826 210.6 260.7 259(11) 0.00826 210.0 258.0 263(11) 0.00826 209.4 255.6 264(12) 0.00694 208.7 253.4 243(11) 0.00826 208.0 251.5 244(11) 0.00826 207.2 249.8 243(11) 0.00826 206.4 248.4 228(10) 0.01000 205.6 247.1 246(11) 0.00826 204.7 246.0 247(11) 0.00826 203.7 245.0 233(11) 0.00826 202.7 244.2 221(11) 0.00826 201.7 243.4 234(11) 0.00826 200.5 242.8 237(11) 0.00826 199.3 242.1 235(11) 0.00826 198.1 241.5 252(11) 0.00826 196.8 240.9 244(11) 0.00826 195.4 240.3 248(11) 0.00826 194.0 239.6 252(11) 0.00826 192.4 238.7 239(11) 0.00826 190.9 237.8 234(11) 0.00826 189.2 236.7 237(11) 0.00826 187.4 235.4 224(10) 0.01000 185.6 234.0 251(11) 0.00826 183.7 232.3 255(16) . . . 249(16) . . . 239(16) . . . 235(15) . . . 245(16) . . . 262(16) . . . 269(16) . . . 256(17) . . . 250(16) . . . 251(16) . . . 258(16) . . . 246(15) . . . 256(16) . . . 234(16) . . . 228(15) . . . 244(15) . . . 268(17) . . . 260(16) . . . 243(16) . . . 271(16) . . . 270(17) . . . 255(16) . . . 269(17) . . . 233(17) . . . 0(17) . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 20 2 2 o 484.208 490.100 180.00 1.24300 0.80 14 14 4 o 24.596 24.895 0.00 1.24300 0.04 18 8 4 o 286.540 280.471 180.00 1.24914 0.45 16 2 12 o 148.241 145.101 0.00 1.24914 0.23 16 12 2 o 10.339 10.120 0.00 1.24914 0.02 14 8 12 o 120.573 118.019 180.00 1.24914 0.19 14 12 8 o 1006.711 985.389 180.00 1.24914 1.58 18 4 8 o 461.861 452.079 180.00 1.24914 0.73 15 13 3 o 63.725 63.816 0.00 1.25069 0.10 15 3 13 o 139.815 140.015 0.00 1.25069 0.22 16 12 0 o 301.143 306.816 180.00 1.25537 0.23 20 0 0 o 13.944 14.207 180.00 1.25537 0.01 16 0 12 o 4.509 4.594 0.00 1.25537 0.00 14 14 2 o 27.202 26.559 0.00 1.26169 0.04 14 10 10 o 731.371 714.086 180.00 1.26169 1.05 18 6 6 o 47.994 46.860 180.00 1.26169 0.07 19 5 3 o 2844.292 2878.700 180.00 1.26329 4.06 15 13 1 o 59.250 59.966 180.00 1.26329 0.08 15 7 11 o 180.662 182.848 180.00 1.26329 0.26 19 3 5 o 2753.729 2787.042 180.00 1.26329 3.93 15 1 13 o 0.936 0.948 0.00 1.26329 0.00 15 11 7 o 682.098 690.350 180.00 1.26329 0.97 17 5 9 o 18.989 19.218 180.00 1.26329 0.03 17 9 5 o 12.774 12.929 180.00 1.26329 0.02 16 6 10 o 483.498 494.182 180.00 1.26812 0.67 14 14 0 o 21.116 21.582 0.00 1.26812 0.01 16 10 6 o 530.547 542.271 180.00 1.26812 0.74 18 8 2 o 272.131 278.144 180.00 1.26812 0.38 18 2 8 o 542.387 554.372 180.00 1.26812 0.75 12 12 10 o 418.580 404.249 0.00 1.27464 0.56 19 1 5 o 2.092 2.012 0.00 1.27628 0.00 13 13 7 o 253.144 243.392 0.00 1.27628 0.34 15 9 9 o 11.340 10.903 180.00 1.27628 0.02 19 5 1 o 3.917 3.766 180.00 1.27628 0.01 17 7 7 o 74.534 71.662 180.00 1.27628 0.10 16 8 8 o 2572.777 2492.365 0.00 1.28126 3.37 19 3 3 o 110.765 111.662 0.00 1.28968 0.14 17 9 3 o 2755.017 2777.328 180.00 1.28968 3.49 17 3 9 o 4451.784 4487.836 180.00 1.28968 5.65 14 6 12 o 0.257 0.272 0.00 1.29482 0.00 14 12 6 o 120.246 127.432 180.00 1.29482 0.15 18 4 6 o 87.961 93.219 0.00 1.29482 0.11 18 6 4 o 2.861 3.032 0.00 1.29482 0.00 16 10 4 o 7.823 7.795 0.00 1.30176 0.01 16 4 10 o 27.048 26.951 180.00 1.30176 0.03 19 1 3 o 455.862 449.222 180.00 1.30351 0.55 13 9 11 o 390.624 384.934 180.00 1.30351 0.47 15 11 5 o 102.465 100.973 180.00 1.30351 0.12 13 11 9 o 1129.281 1112.834 180.00 1.30351 1.37 15 5 11 o 6.163 6.073 180.00 1.30351 0.01 19 3 1 o 262.968 259.139 180.00 1.30351 0.32 17 9 1 o 0.839 0.826 0.00 1.30351 0.00 17 1 9 o 46.201 45.528 180.00 1.30351 0.06 18 6 2 o 23.935 23.854 180.00 1.31599 0.03 18 2 6 o 1.595 1.590 180.00 1.31599 0.00 11 11 11 o 10585.071 10353.565 0.00 1.31780 4.14 17 7 5 o 648.292 634.113 0.00 1.31780 0.76 13 13 5 o 1143.678 1118.664 180.00 1.31780 1.34 19 1 1 o 54.375 53.186 0.00 1.31780 0.06 17 5 7 o 794.164 776.796 0.00 1.31780 0.93 14 8 10 o 249.063 253.656 180.00 1.32328 0.29 16 2 10 o 273.305 278.346 180.00 1.32328 0.32 18 0 6 o 2.544 2.591 180.00 1.32328 0.00 16 10 2 o 120.394 122.614 180.00 1.32328 0.14 18 6 0 o 20.116 20.487 0.00 1.32328 0.01 14 10 8 o 612.122 623.411 180.00 1.32328 0.71 16 8 6 o 10.942 10.961 0.00 1.33069 0.01 14 12 4 o 39.556 39.622 0.00 1.33069 0.05 16 6 8 o 10.482 10.500 0.00 1.33069 0.01 18 4 4 o 3.979 3.985 180.00 1.33069 0.00 14 4 12 o 7.722 7.735 0.00 1.33069 0.01 15 11 3 o 782.511 797.060 0.00 1.33256 0.89 15 9 7 o 80.810 82.312 0.00 1.33256 0.09 15 7 9 o 198.929 202.627 0.00 1.33256 0.23 15 3 11 o 301.119 306.718 0.00 1.33256 0.34 12 12 8 o 79.987 85.172 180.00 1.33823 0.09 15 1 11 o 9.733 9.783 180.00 1.34784 0.01 13 13 3 o 911.679 916.383 0.00 1.34784 1.02 15 11 1 o 8.574 8.618 0.00 1.34784 0.01 17 7 3 o 17.354 17.443 0.00 1.34784 0.02 17 3 7 o 0.206 0.207 0.00 1.34784 0.00 12 10 10 o 536.101 487.958 0.00 1.35370 0.59 14 12 2 o 564.672 513.963 0.00 1.35370 0.62 18 2 4 o 23.651 21.527 0.00 1.35370 0.03 18 4 2 o 123.560 112.464 180.00 1.35370 0.14 14 2 12 o 389.439 354.467 0.00 1.35370 0.43 17 5 5 o 2469.259 2460.503 0.00 1.36365 2.70 13 13 1 o 90.845 90.523 0.00 1.36365 0.10 17 1 7 o 190.926 190.249 0.00 1.36365 0.21 13 7 11 o 414.804 413.333 0.00 1.36365 0.45 17 7 1 o 337.993 336.794 0.00 1.36365 0.37 13 11 7 o 105.139 104.766 0.00 1.36365 0.12 16 4 8 o 1019.326 1001.003 180.00 1.36972 1.11 16 8 4 o 473.518 465.007 180.00 1.36972 0.51 18 2 2 o 154.111 149.234 180.00 1.37795 0.17 14 6 10 o 7.169 6.943 180.00 1.37795 0.01 14 10 6 o 139.391 134.979 180.00 1.37795 0.15 15 5 9 o 661.288 651.630 180.00 1.38003 0.71 15 9 5 o 611.339 602.410 180.00 1.38003 0.66 13 9 9 o 849.648 837.239 180.00 1.38003 0.92 18 2 0 o 0.120 0.122 0.00 1.38632 0.00 16 6 6 o 3724.998 3799.000 0.00 1.38632 3.99 18 0 2 o 56.135 57.250 180.00 1.38632 0.03 16 2 8 o 1102.794 1153.483 0.00 1.39486 1.18 14 8 8 o 2.772 2.899 0.00 1.39486 0.00 16 8 2 o 1959.698 2049.774 0.00 1.39486 2.09 12 12 6 o 1066.010 1115.009 0.00 1.39486 1.14 11 11 9 o 3.254 3.500 0.00 1.39701 0.00 17 5 3 o 12.005 12.909 180.00 1.39701 0.01 17 3 5 o 7.844 8.435 0.00 1.39701 0.01 15 7 7 o 65.519 70.455 180.00 1.39701 0.07 16 0 8 o 44.254 61.041 180.00 1.40355 0.02 16 8 0 o 120.549 166.275 180.00 1.40355 0.06 15 3 9 o 3.737 4.986 0.00 1.41464 0.00 13 5 11 o 4.542 6.060 0.00 1.41464 0.00 17 5 1 o 0.354 0.472 0.00 1.41464 0.00 15 9 3 o 36.480 48.674 0.00 1.41464 0.04 17 1 5 o 1.556 2.076 0.00 1.41464 0.00 13 11 5 o 13.562 18.095 0.00 1.41464 0.01 14 10 4 o 0.686 0.676 0.00 1.42143 0.00 14 4 10 o 2.810 2.770 180.00 1.42143 0.00 12 10 8 o 130.088 122.248 180.00 1.43063 0.14 16 6 4 o 32.208 30.267 180.00 1.43063 0.03 12 8 10 o 19.994 18.789 180.00 1.43063 0.02 16 4 6 o 77.293 72.635 180.00 1.43063 0.08 15 9 1 o 9.332 8.993 0.00 1.43296 0.01 17 3 3 o 1989.707 1917.517 180.00 1.43296 2.09 15 1 9 o 45.724 44.065 180.00 1.43296 0.05 12 12 4 o 42.443 31.996 180.00 1.44001 0.04 14 10 2 o 101.636 100.983 180.00 1.44958 0.11 10 10 10 o 7.309 7.262 180.00 1.44958 0.00 14 2 10 o 22.386 22.242 180.00 1.44958 0.02 13 11 3 o 22.026 22.812 180.00 1.45200 0.02 13 9 7 o 359.105 371.919 180.00 1.45200 0.38 13 3 11 o 0.074 0.077 0.00 1.45200 0.00 17 3 1 o 10.765 11.149 0.00 1.45200 0.01 15 7 5 o 43.139 44.678 180.00 1.45200 0.05 13 7 9 o 6.671 6.909 0.00 1.45200 0.01 15 5 7 o 25.353 26.258 180.00 1.45200 0.03 17 1 3 o 1.026 1.063 180.00 1.45200 0.00 14 8 6 o 1646.915 1593.077 180.00 1.45934 1.72 14 10 0 o 123.004 118.983 180.00 1.45934 0.06 16 6 2 o 21.500 20.797 0.00 1.45934 0.02 14 0 10 o 20.471 19.802 180.00 1.45934 0.01 16 2 6 o 4.487 4.340 0.00 1.45934 0.00 14 6 8 o 667.549 645.727 180.00 1.45934 0.70 12 12 2 o 12.667 11.166 180.00 1.46930 0.01 11 11 7 o 8.391 7.814 180.00 1.47182 0.01 13 11 1 o 127.651 118.878 0.00 1.47182 0.13 13 1 11 o 225.645 210.137 0.00 1.47182 0.24 17 1 1 o 1117.343 1040.553 180.00 1.47182 1.17 12 12 0 o 3958.030 3881.307 0.00 1.47947 2.07 16 4 4 o 155.171 152.163 180.00 1.47947 0.16 15 7 3 o 5.902 5.657 0.00 1.49248 0.01 15 3 7 o 0.795 0.762 0.00 1.49248 0.00 11 9 9 o 86.454 82.867 0.00 1.49248 0.09 12 6 10 o 995.051 1012.485 180.00 1.50045 1.04 12 10 6 o 1890.034 1923.149 180.00 1.50045 1.98 14 4 8 o 12.831 12.662 0.00 1.51129 0.01 16 4 2 o 45.999 45.394 180.00 1.51129 0.05 14 8 4 o 0.090 0.089 0.00 1.51129 0.00 16 2 4 o 241.603 238.424 180.00 1.51129 0.25 15 5 5 o 589.790 585.165 180.00 1.51403 0.62 13 9 5 o 266.149 264.063 180.00 1.51403 0.28 13 5 9 o 4.434 4.399 0.00 1.51403 0.00 15 1 7 o 110.975 110.105 180.00 1.51403 0.12 15 7 1 o 95.968 95.215 180.00 1.51403 0.10 16 4 0 o 12.615 12.518 180.00 1.52236 0.01 16 0 4 o 75.332 74.752 0.00 1.52236 0.04 12 8 8 o 2071.690 2055.750 0.00 1.52236 2.18 14 6 6 o 3.256 3.377 0.00 1.53368 0.00 13 7 7 o 75.313 76.350 180.00 1.53655 0.08 11 11 5 o 4280.801 4339.777 180.00 1.53655 4.52 16 2 2 o 305.079 306.758 0.00 1.54525 0.32 14 8 2 o 13.748 13.824 0.00 1.54525 0.01 10 10 8 o 559.964 563.045 0.00 1.54525 0.59 14 2 8 o 129.032 129.742 180.00 1.54525 0.14 12 4 10 o 4.482 4.554 180.00 1.55710 0.00 12 10 4 o 66.836 67.903 180.00 1.55710 0.07 15 5 3 o 1176.521 1198.743 0.00 1.56010 1.25 15 3 5 o 759.814 774.164 0.00 1.56010 0.81 13 9 3 o 55.909 56.965 180.00 1.56010 0.06 13 3 9 o 105.763 107.761 180.00 1.56010 0.11 16 0 0 o 5125.116 5229.013 0.00 1.56921 1.37 11 11 3 o 9.441 9.730 0.00 1.58477 0.01 13 9 1 o 99.080 102.118 180.00 1.58477 0.11 11 9 7 o 424.249 437.255 0.00 1.58477 0.46 15 5 1 o 13.691 14.110 0.00 1.58477 0.01 11 7 9 o 403.629 416.003 0.00 1.58477 0.43 13 1 9 o 170.626 175.857 180.00 1.58477 0.18 15 1 5 o 167.067 172.189 0.00 1.58477 0.18 12 10 2 o 73.568 87.232 180.00 1.59432 0.08 14 6 4 o 32.297 38.295 0.00 1.59432 0.03 14 4 6 o 19.295 22.879 0.00 1.59432 0.02 12 2 10 o 98.439 116.722 180.00 1.59432 0.11 12 8 6 o 55.851 54.847 0.00 1.60734 0.06 12 6 8 o 106.260 104.352 0.00 1.60734 0.12 15 3 3 o 21.853 21.670 0.00 1.61064 0.02 9 9 9 o 810.124 803.321 0.00 1.61064 0.29 13 5 7 o 177.469 175.979 0.00 1.61064 0.19 11 11 1 o 1492.533 1479.998 0.00 1.61064 1.62 13 7 5 o 138.689 137.524 0.00 1.61064 0.15 14 6 2 o 2328.761 2299.213 0.00 1.63435 2.56 14 2 6 o 2424.838 2394.070 0.00 1.63435 2.67 10 10 6 o 529.737 523.015 180.00 1.63435 0.58 15 3 1 o 74.845 70.514 0.00 1.63783 0.08 15 1 3 o 3.556 3.351 0.00 1.63783 0.00 14 6 0 o 0.203 0.196 0.00 1.64838 0.00 14 0 6 o 5.368 5.195 0.00 1.64838 0.00 10 8 8 o 512.866 514.568 0.00 1.66278 0.57 14 4 4 o 577.532 579.449 0.00 1.66278 0.64 13 3 7 o 442.135 436.707 0.00 1.66644 0.49 11 5 9 o 49.274 48.669 0.00 1.66644 0.06 15 1 1 o 0.013 0.013 180.00 1.66644 0.00 13 7 3 o 210.245 207.665 0.00 1.66644 0.24 11 9 5 o 0.615 0.607 180.00 1.66644 0.00 12 4 8 o 477.427 450.544 180.00 1.67756 0.54 12 8 4 o 1025.170 967.444 180.00 1.67756 1.15 13 5 5 o 75.514 74.301 180.00 1.69660 0.09 13 7 1 o 121.637 119.683 0.00 1.69660 0.14 13 1 7 o 31.046 30.547 0.00 1.69660 0.04 11 7 7 o 6.337 6.235 180.00 1.69660 0.01 12 6 6 o 194.195 179.431 0.00 1.70834 0.22 14 4 2 o 24.423 22.566 180.00 1.70834 0.03 14 2 4 o 95.221 87.982 180.00 1.70834 0.11 10 10 4 o 141.229 130.491 180.00 1.70834 0.16 11 9 3 o 3840.664 3856.900 180.00 1.72847 4.45 9 9 7 o 0.319 0.320 0.00 1.72847 0.00 11 3 9 o 2936.931 2949.342 180.00 1.72847 3.41 12 8 2 o 484.211 491.048 180.00 1.72438 0.56 12 2 8 o 167.670 170.037 180.00 1.72438 0.19 12 8 0 o 207.759 220.506 0.00 1.74089 0.12 12 0 8 o 159.772 169.574 0.00 1.74089 0.09 10 10 2 o 91.456 107.056 180.00 1.75787 0.11 14 2 2 o 52.550 61.513 180.00 1.75787 0.06 13 3 5 o 97.566 112.516 0.00 1.76219 0.12 11 9 1 o 11.434 13.186 180.00 1.76219 0.01 11 1 9 o 11.760 13.562 180.00 1.76219 0.01 13 5 3 o 175.966 202.930 0.00 1.76219 0.21 10 8 6 o 157.612 155.493 0.00 1.77536 0.19 10 10 0 o 3471.225 3424.574 180.00 1.77536 2.07 10 6 8 o 33.021 32.577 0.00 1.77536 0.04 14 0 2 o 52.513 51.807 180.00 1.77536 0.03 14 2 0 o 537.239 530.018 180.00 1.77536 0.32 12 4 6 o 60.265 67.794 180.00 1.79339 0.07 12 6 4 o 2.563 2.883 180.00 1.79339 0.00 11 5 7 o 82.345 93.067 180.00 1.79798 0.10 11 7 5 o 123.064 139.087 180.00 1.79798 0.15 13 5 1 o 211.448 238.977 180.00 1.79798 0.26 13 1 5 o 60.333 68.188 180.00 1.79798 0.07 8 8 8 o 632.302 524.358 0.00 1.81197 0.26 9 9 5 o 1602.010 1550.050 0.00 1.83604 1.99 13 3 3 o 60.889 58.914 0.00 1.83604 0.08 12 6 2 o 35.712 44.172 0.00 1.85094 0.04 12 2 6 o 0.066 0.081 0.00 1.85094 0.00 9 7 7 o 466.148 476.322 0.00 1.87662 0.60 13 1 3 o 63.699 65.089 0.00 1.87662 0.08 11 7 3 o 295.701 302.154 0.00 1.87662 0.38 11 3 7 o 516.764 528.042 0.00 1.87662 0.66 13 3 1 o 60.678 62.002 180.00 1.87662 0.08 10 4 8 o 3.803 3.962 180.00 1.87140 0.00 10 8 4 o 92.541 96.422 180.00 1.87140 0.12 12 4 4 o 65.397 57.669 180.00 1.89254 0.08 10 6 6 o 25.437 24.782 180.00 1.91442 0.03 11 7 1 o 270.763 279.555 0.00 1.92001 0.36 13 1 1 o 21.721 22.426 180.00 1.92001 0.03 11 5 5 o 541.042 558.611 180.00 1.92001 0.71 11 1 7 o 294.032 303.580 0.00 1.92001 0.39 9 9 3 o 376.147 388.361 0.00 1.92001 0.50 10 2 8 o 516.007 536.941 0.00 1.93708 0.69 10 8 2 o 687.208 715.089 0.00 1.93708 0.92 9 9 1 o 1985.792 1963.373 180.00 1.96656 2.71 8 8 6 o 1207.250 1198.815 0.00 1.96056 1.64 12 2 4 o 1015.617 1008.523 0.00 1.96056 1.38 12 4 2 o 898.963 892.683 0.00 1.96056 1.22 12 0 4 o 259.995 209.210 180.00 1.98492 0.18 12 4 0 o 79.558 64.018 180.00 1.98492 0.05 11 3 5 o 1.461 1.387 180.00 2.01668 0.00 9 5 7 o 12.165 11.546 180.00 2.01668 0.02 11 5 3 o 18.122 17.201 0.00 2.01668 0.03 9 7 5 o 49.774 47.243 180.00 2.01668 0.07 12 2 2 o 646.535 594.516 0.00 2.03648 0.93 10 4 6 o 1.224 1.125 0.00 2.03648 0.00 10 6 4 o 0.203 0.186 0.00 2.03648 0.00 11 5 1 o 26.944 29.921 180.00 2.07082 0.04 11 1 5 o 109.512 121.611 180.00 2.07082 0.16 7 7 7 o 105.454 117.105 0.00 2.07082 0.05 8 8 4 o 441.623 463.176 180.00 2.09228 0.66 12 0 0 o 102.165 107.152 0.00 2.09228 0.04 10 6 2 o 497.978 474.351 180.00 2.12196 0.76 10 2 6 o 458.233 436.494 180.00 2.12196 0.70 9 7 3 o 3.185 3.109 180.00 2.12958 0.00 11 3 3 o 7080.629 6911.842 0.00 2.12958 10.86 9 3 7 o 20.693 20.200 180.00 2.12958 0.03 10 0 6 o 398.377 356.032 180.00 2.15294 0.31 10 6 0 o 3.126 2.794 180.00 2.15294 0.00 8 6 6 o 43.337 38.730 0.00 2.15294 0.07 9 7 1 o 749.266 733.475 0.00 2.19364 1.20 11 1 3 o 93.616 91.643 180.00 2.19364 0.15 9 5 5 o 53.801 52.667 180.00 2.19364 0.09 9 1 7 o 606.502 593.720 0.00 2.19364 0.97 11 3 1 o 4.981 4.876 180.00 2.19364 0.01 10 4 4 o 418.750 410.194 0.00 2.18532 0.67 8 8 2 o 0.539 0.528 180.00 2.18532 0.00 8 8 0 o 11019.198 10912.014 0.00 2.21920 9.01 11 1 1 o 26.359 29.800 180.00 2.26386 0.04 7 7 5 o 288.988 326.707 0.00 2.26386 0.49 10 2 4 o 203.541 230.015 0.00 2.29198 0.35 10 4 2 o 101.998 115.265 0.00 2.29198 0.18 8 6 4 o 95.376 88.218 180.00 2.33116 0.17 8 4 6 o 151.852 140.455 180.00 2.33116 0.27 9 3 5 o 195.746 188.287 180.00 2.34128 0.35 9 5 3 o 981.983 944.566 180.00 2.34128 1.75 7 7 3 o 68.399 73.412 180.00 2.42722 0.13 9 5 1 o 1.482 1.591 180.00 2.42722 0.00 9 1 5 o 3.964 4.254 180.00 2.42722 0.01 6 6 6 o 9354.344 9391.181 0.00 2.41596 5.86 10 2 2 o 421.806 423.467 180.00 2.41596 0.79 10 0 2 o 29.464 31.847 0.00 2.46198 0.03 8 2 6 o 49.952 53.992 180.00 2.46198 0.10 8 6 2 o 182.664 197.435 180.00 2.46198 0.35 10 2 0 o 43.691 47.224 0.00 2.46198 0.04 9 3 3 o 30.131 26.485 180.00 2.52339 0.06 7 7 1 o 27.752 24.394 0.00 2.52339 0.06 7 5 5 o 54.566 47.964 0.00 2.52339 0.11 8 4 4 o 16.671 23.599 0.00 2.56251 0.03 9 1 3 o 251.368 242.667 0.00 2.63197 0.55 9 3 1 o 226.569 218.727 0.00 2.63197 0.49 6 6 4 o 973.082 975.476 180.00 2.67646 2.18 7 5 3 o 145.651 128.431 0.00 2.75590 0.34 7 3 5 o 11.193 9.870 0.00 2.75590 0.03 9 1 1 o 48.969 43.179 0.00 2.75590 0.12 8 4 2 o 161.841 142.285 0.00 2.73944 0.38 8 2 4 o 4.933 4.337 0.00 2.73944 0.01 8 4 0 o 231.906 231.357 0.00 2.80709 0.28 8 0 4 o 637.244 635.737 0.00 2.80709 0.78 6 6 2 o 8.498 9.939 180.00 2.88002 0.02 7 5 1 o 57.883 57.176 0.00 2.89915 0.15 7 1 5 o 205.740 203.230 0.00 2.89915 0.53 5 5 5 o 9874.702 9754.234 180.00 2.89915 8.49 6 6 0 o 686.587 706.992 0.00 2.95894 0.92 8 2 2 o 264.592 272.457 0.00 2.95894 0.71 6 4 4 o 5.488 5.294 180.00 3.04472 0.02 7 3 3 o 627.990 631.873 180.00 3.06736 1.79 8 0 0 o 0.490 0.389 0.00 3.13843 0.00 5 5 3 o 28.401 25.440 180.00 3.26871 0.09 7 1 3 o 17.660 15.819 180.00 3.26871 0.06 7 3 1 o 0.412 0.369 180.00 3.26871 0.00 6 2 4 o 1426.538 1430.488 180.00 3.35512 4.80 6 4 2 o 850.557 852.917 180.00 3.35512 2.86 7 1 1 o 0.441 0.588 180.00 3.51574 0.00 5 5 1 o 62.273 83.120 0.00 3.51574 0.23 4 4 4 o 60.311 40.966 180.00 3.62394 0.08 5 3 3 o 3128.656 3109.417 180.00 3.82884 13.50 6 2 2 o 148.123 148.336 180.00 3.78508 0.63 6 0 2 o 109.939 84.393 0.00 3.96983 0.25 6 2 0 o 74.135 56.909 0.00 3.96983 0.17 5 1 3 o 103.338 106.502 0.00 4.24393 0.54 5 3 1 o 0.000 0.000 0.00 4.24393 0.00 4 4 2 o 44.978 29.568 180.00 4.18457 0.23 4 4 0 o 1568.637 1604.130 180.00 4.43840 4.48 3 3 3 o 5.957 5.858 180.00 4.83192 0.01 5 1 1 o 94.989 93.409 0.00 4.83192 0.64 2 2 0 o 1945.431 1948.439 0.00 8.87681 21.61 4 2 2 o 74.283 73.412 0.00 5.12503 0.56 3 3 1 o 1650.825 1655.358 180.00 5.76004 15.65 3 1 1 o 342.247 342.096 0.00 7.57017 5.55 2 2 2 o 15.135 8.954 180.00 7.24788 0.08 4 0 0 o 2.928 3.675 180.00 6.27685 0.01