#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:04:44 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1180 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000014.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_4000014 loop_ _publ_author_name 'Turrina, Alessandro' 'Garcia, Raquel' 'Watts, Abigail E.' 'Greer, Heather F.' 'Bradley, Jonathan' 'Zhou, Wuzong' 'Cox, Paul A.' 'Shannon, Mervyn D.' 'Mayoral, Alvaro' 'Casci, John L.' 'Wright, Paul A.' _publ_section_title ; STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging ; _journal_issue 5 _journal_name_full 'Chemistry of Materials' _journal_page_first 2180 _journal_page_last 2190 _journal_paper_doi 10.1021/acs.chemmater.6b04892 _journal_volume 29 _journal_year 2017 _chemical_formula_moiety 'Al O4 P0.95 Si0.05' _chemical_formula_sum 'Al O4 P0.95 Si0.05' _chemical_formula_weight 121.81 _chemical_name_common 'SAPO-STA-20 calcined dehydrated' _space_group_IT_number 163 _space_group_name_Hall '-P 3 2c' _space_group_name_H-M_alt 'P -3 1 c' _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-P 3 2c' _symmetry_space_group_name_H-M 'P -3 1 c' _audit_creation_date 2016-10-28T17:12 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2016-10-28T17:12 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 36 _cell_length_a 13.15497(18) _cell_length_b 13.15497 _cell_length_c 30.5833(4) _cell_measurement_temperature 295 _cell_volume 4583.47(9) _computing_structure_refinement GSAS _diffrn_ambient_temperature 295 _diffrn_detector Mythen _diffrn_measurement_device_type 'I11 beamline' _diffrn_radiation_polarisn_ratio 0.9 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.826163 _diffrn_source X-ray _diffrn_source_type 'Synchrotron Diamond Light Source (DLS)' _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _pd_block_id 2016-10-28T17:12|STA20CALC|| _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.004 _pd_meas_2theta_range_max 92.36 _pd_meas_2theta_range_min 2.084 _pd_meas_number_of_points 22570 _pd_phase_name 'from F:/Abi/files for paul/STA-20 calcined/SAPO STA-20 calcined.ci' _pd_proc_2theta_range_inc 0.004 _pd_proc_2theta_range_max 92.37472 _pd_proc_2theta_range_min 2.09872 _pd_proc_info_datetime 2016-10-28T17:12:54 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 2 with 36 terms. Cosine Fourier series 1: 39652.4 2: 2147.37 3: 139.546 4: -280090. 5: 327942. 6: 15270.4 7: 16787.5 8: -108185. 9: -167044. 10: 64681.8 11: 275661. 12: -312614. 13: 246567. 14: 16847.2 15: -110343. 16: -308171. 17: 353245. 18: 9888.06 19: -66703.5 20: 62244.4 21: -70470.3 22: -74137.3 23: 75981.0 24: -6206.17 25: 8040.43 26: 37384.4 27: -23580.2 28: -14916.8 29: -5645.33 30: -54155.6 31: 55959.4 32: 105813. 33: -144159. 34: 20338.8 35: 36805.3 36: -13160.6 ; _pd_proc_ls_peak_cutoff 0.00010 _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 392.103 #2(GV) = -15.293 #3(GW) = 0.479 #4(GP) = 0.000 #5(LX) = 1.280 #6(LY) = 2.195 #7(S/L) = 0.0049 #8(H/L) = 0.0039 #9(trns) = 0.00 #10(shft)= 0.0000 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = -0.082 #15(L22) = -0.268 #16(L33) = -0.012 #17(L12) = 0.139 #18(L13) = 0.034 #19(L23) = 0.043 Peak tails are ignored where the intensity is below 0.0001 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0356 _pd_proc_ls_prof_wR_expected 0.0117 _pd_proc_ls_prof_wR_factor 0.0469 _pd_proc_number_of_points 22570 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 4.21 _refine_ls_matrix_type full _refine_ls_number_parameters 55 _refine_ls_number_restraints 60 _refine_ls_R_Fsqd_factor 0.12103 _refine_ls_shift/su_max 0.05 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.208 _reflns_d_resolution_low 15.292 _reflns_limit_h_max 9 _reflns_limit_h_min 0 _reflns_limit_k_max 5 _reflns_limit_k_min 0 _reflns_limit_l_max 26 _reflns_limit_l_min -26 _reflns_number_total 918 _cod_data_source_file cm6b04892_si_002.cif _cod_data_source_block STA20Calcined_publ _cod_original_cell_volume 4583.48(13) _cod_original_sg_symbol_Hall '-P 3 2c ' _cod_database_code 4000014 _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 -y,x-y,+z 3 y-x,-x,+z 4 +y,+x,+z+1/2 5 -x,y-x,+z+1/2 6 x-y,-y,+z+1/2 -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z -4 -y,-x,-z+1/2 -5 +x,x-y,-z+1/2 -6 y-x,+y,-z+1/2 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 Al Al1 0.3319(4) 0.4190(4) 0.12439(20) 1.0 Uiso 0.0058(5) 12 Al Al2 0.2361(4) 1.0020(5) 0.19875(19) 1.0 Uiso 0.0058(5) 12 Al Al3 0.2317(5) 0.9920(6) 0.05009(16) 1.0 Uiso 0.0058(5) 12 O O1 0.3207(7) 0.3343(7) 0.07975(28) 1.0 Uiso 0.0095(11) 12 O O2 0.3185(7) 0.3409(7) 0.17160(28) 1.0 Uiso 0.0095(11) 12 O O3 0.6769(6) 0.6414(5) 0.58240(20) 1.0 Uiso 0.0095(11) 12 O O4 0.6767(6) 0.6491(5) 0.66494(22) 1.0 Uiso 0.0095(11) 12 O O5 0.2745(10) 0.2646(10) 0.00420(12) 1.0 Uiso 0.0095(11) 12 O O6 0.1139(4) 0.2003(5) 0.0593(4) 1.0 Uiso 0.0095(11) 12 O O7 0.2213(4) 0.4542(6) 0.1231(4) 1.0 Uiso 0.0095(11) 12 O O8 0.1088(4) 0.2002(5) 0.1936(4) 1.0 Uiso 0.0095(11) 12 O O9 0.2504(7) 0.1260(6) 0.06392(32) 1.0 Uiso 0.0095(11) 12 O O10 0.2499(8) 0.1348(7) 0.1842(4) 1.0 Uiso 0.0095(11) 12 O O11 0.46628(34) 0.5452(4) 0.12401(24) 1.0 Uiso 0.0095(11) 12 O O12 0.2781(10) 0.2685(11) 0.24729(13) 1.0 Uiso 0.0095(11) 12 P P1 0.23862(30) 0.23032(32) 0.05157(14) 0.95 Uiso 0.0058(5) 12 Si Si1 0.23862(30) 0.23032(32) 0.05157(14) 0.05 Uiso 0.0058(5) 12 P P2 0.23733(30) 0.23589(32) 0.20008(14) 0.95 Uiso 0.0058(5) 12 Si Si2 0.23733(30) 0.23589(32) 0.20008(14) 0.05 Uiso 0.0058(5) 12 P P3 0.66699(30) 0.57353(32) 0.62448(14) 0.95 Uiso 0.0058(5) 12 Si Si3 0.66699(30) 0.57353(32) 0.62448(14) 0.05 Uiso 0.0058(5) 12 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Al 36.0 0.000 0.000 6.42020 3.03870 1.90020 0.74260 1.59360 31.5472 1.96460 85.0886 1.11510 International_Tables_Vol_C O 144.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C P 34.2 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080 68.1645 1.11490 International_Tables_Vol_C Si 1.8 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 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 O1 Al1 O2 109.10(28) 1_555 . 1_555 N O1 Al1 O7 110.05(28) 1_555 . 1_555 N O1 Al1 O11 109.54(28) 1_555 . 1_555 N O2 Al1 O7 109.13(28) 1_555 . 1_555 N O2 Al1 O11 109.28(28) 1_555 . 1_555 N O7 Al1 O11 109.72(27) 1_555 . 1_555 N O4 Al2 O8 109.27(34) 5_664 . 3_565 N O4 Al2 O10 109.21(31) 5_664 . 1_565 N O4 Al2 O12 110.86(33) 5_664 . -5_566 N O8 Al2 O10 110.1(5) 3_565 . 1_565 N O8 Al2 O12 108.75(33) 3_565 . -5_566 N O10 Al2 O12 108.63(31) 1_565 . -5_566 N O3 Al3 O5 110.1(4) 5_664 . -2_565 N O3 Al3 O6 110.0(4) 5_664 . 3_565 N O3 Al3 O9 108.56(32) 5_664 . 1_565 N O5 Al3 O6 109.18(35) -2_565 . 3_565 N O5 Al3 O9 110.3(5) -2_565 . 1_565 N O6 Al3 O9 108.7(4) 3_565 . 1_565 N Al1 O1 P1 145.7(6) 1_555 . 1_555 N Al1 O1 Si1 145.7(6) 1_555 . 1_555 N P1 O1 Si1 0.0 1_555 . 1_555 N Al1 O2 P2 146.2(6) 1_555 . 1_555 N Al1 O2 Si2 146.2(6) 1_555 . 1_555 N P2 O2 Si2 0.0 1_555 . 1_555 N Al3 O3 P3 145.5(6) 5_655 . 1_555 N Al3 O3 Si3 145.5(6) 5_655 . 1_555 N P3 O3 Si3 0.0 1_555 . 1_555 N Al2 O4 P3 148.5(6) 5_655 . 1_555 N Al2 O4 Si3 148.5(6) 5_655 . 1_555 N P3 O4 Si3 0.0 1_555 . 1_555 N Al3 O5 P1 147.3(9) -3_655 . 1_555 N Al3 O5 Si1 147.3(9) -3_655 . 1_555 N P1 O5 Si1 0.0 1_555 . 1_555 N Al3 O6 P1 146.2(6) 2_665 . 1_555 N Al3 O6 Si1 146.2(6) 2_665 . 1_555 N P1 O6 Si1 0.0 1_555 . 1_555 N Al1 O7 P3 154.6(5) 1_555 . 6_564 N Al1 O7 Si3 154.6(5) 1_555 . 6_564 N P3 O7 Si3 0.0 6_564 . 6_564 N Al2 O8 P2 148.8(5) 2_665 . 1_555 N Al2 O8 Si2 148.8(5) 2_665 . 1_555 N P2 O8 Si2 0.0 1_555 . 1_555 N Al3 O9 P1 148.5(7) 1_545 . 1_555 N Al3 O9 Si1 148.5(7) 1_545 . 1_555 N P1 O9 Si1 0.0 1_555 . 1_555 N Al2 O10 P2 144.4(7) 1_545 . 1_555 N Al2 O10 Si2 144.4(7) 1_545 . 1_555 N P2 O10 Si2 0.0 1_555 . 1_555 N Al1 O11 P3 170.6(5) 1_555 . 4_554 N Al1 O11 Si3 170.6(5) 1_555 . 4_554 N P3 O11 Si3 0.0 4_554 . 4_554 N Al2 O12 P2 144.0(8) -5_566 . 1_555 N Al2 O12 Si2 144.0(8) -5_566 . 1_555 N P2 O12 Si2 0.0 1_555 . 1_555 N O1 P1 O5 107.4(5) 1_555 . 1_555 N O1 P1 O6 109.8(4) 1_555 . 1_555 N O1 P1 O9 109.2(4) 1_555 . 1_555 N O5 P1 O6 111.3(4) 1_555 . 1_555 N O5 P1 O9 110.6(5) 1_555 . 1_555 N O6 P1 O9 108.6(4) 1_555 . 1_555 N O1 Si1 O5 107.4(5) 1_555 . 1_555 N O1 Si1 O6 109.8(4) 1_555 . 1_555 N O1 Si1 O9 109.2(4) 1_555 . 1_555 N O5 Si1 O6 111.3(4) 1_555 . 1_555 N O5 Si1 O9 110.6(5) 1_555 . 1_555 N O6 Si1 O9 108.6(4) 1_555 . 1_555 N O2 P2 O8 111.7(4) 1_555 . 1_555 N O2 P2 O10 106.2(4) 1_555 . 1_555 N O2 P2 O12 107.3(4) 1_555 . 1_555 N O8 P2 O10 106.4(4) 1_555 . 1_555 N O8 P2 O12 112.96(33) 1_555 . 1_555 N O10 P2 O12 112.1(4) 1_555 . 1_555 N O2 Si2 O8 111.7(4) 1_555 . 1_555 N O2 Si2 O10 106.2(4) 1_555 . 1_555 N O2 Si2 O12 107.3(4) 1_555 . 1_555 N O8 Si2 O10 106.4(4) 1_555 . 1_555 N O8 Si2 O12 112.96(33) 1_555 . 1_555 N O10 Si2 O12 112.1(4) 1_555 . 1_555 N O3 P3 O4 109.88(34) 1_555 . 1_555 N O3 P3 O7 106.4(5) 1_555 . 6_665 N O3 P3 O11 106.1(4) 1_555 . 4_555 N O4 P3 O7 111.7(4) 1_555 . 6_665 N O4 P3 O11 108.3(4) 1_555 . 4_555 N O7 P3 O11 114.3(4) 6_665 . 4_555 N O3 Si3 O4 109.88(34) 1_555 . 1_555 N O3 Si3 O7 106.4(5) 1_555 . 6_665 N O3 Si3 O11 106.1(4) 1_555 . 4_555 N O4 Si3 O7 111.7(4) 1_555 . 6_665 N O4 Si3 O11 108.3(4) 1_555 . 4_555 N O7 Si3 O11 114.3(4) 6_665 . 4_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 Al1 O1 1.721(4) . 1_555 N Al1 O2 1.730(4) . 1_555 N Al1 O7 1.735(4) . 1_555 N Al1 O11 1.716(4) . 1_555 N Al1 Si1 3.095(6) . 1_555 N Al1 Si2 3.116(7) . 1_555 N Al2 O4 1.727(4) . 5_664 N Al2 O8 1.732(7) . 3_565 N Al2 O10 1.723(4) . 1_565 N Al2 O12 1.727(4) . -5_565 N Al2 P2 3.069(6) . 1_565 N Al2 Si2 3.069(6) . 1_565 N Al2 Si2 3.094(7) . -5_565 N Al3 O3 1.728(4) . 5_664 N Al3 O5 1.719(6) . -2_565 N Al3 O6 1.735(9) . 3_565 N Al3 O9 1.707(4) . 1_565 N Al3 Si1 3.091(7) . 1_565 N Al3 Si1 3.098(7) . 3_565 N Al3 Si1 3.109(6) . -2_565 N Al3 Si3 3.116(6) . 5_664 N O1 Al1 1.721(4) . 1_555 N O1 P1 1.518(5) . 1_555 N O1 Si1 1.518(5) . 1_555 N O2 Al1 1.730(4) . 1_555 N O2 P2 1.527(5) . 1_555 N O2 Si2 1.527(5) . 1_555 N O3 Al3 1.728(4) . 5_655 N O3 P3 1.534(6) . 1_555 N O3 Si3 1.534(6) . 1_555 N O4 Al2 1.727(4) . 5_655 N O4 P3 1.552(6) . 1_555 N O4 Si3 1.552(6) . 1_555 N O5 Al3 1.719(6) . -3_655 N O5 P1 1.520(5) . 1_555 N O5 Si1 1.520(5) . 1_555 N O6 Al3 1.735(9) . 2_665 N O6 P1 1.502(5) . 1_555 N O6 Si1 1.502(5) . 1_555 N O7 Al1 1.735(4) . 1_555 N O7 P3 1.532(4) . 6_564 N O7 Si3 1.532(4) . 6_564 N O8 Al2 1.732(7) . 2_665 N O8 P2 1.525(5) . 1_555 N O8 Si2 1.525(5) . 1_555 N O9 Al3 1.707(4) . 1_545 N O9 P1 1.504(5) . 1_555 N O9 Si1 1.504(5) . 1_555 N O10 Al2 1.723(4) . 1_545 N O10 P2 1.500(5) . 1_555 N O10 Si2 1.500(5) . 1_555 N O11 Al1 1.716(4) . 1_555 N O11 P3 1.516(4) . 4_554 N O11 Si3 1.516(4) . 4_554 N O12 Al2 1.727(4) . -5_565 N O12 P2 1.525(6) . 1_555 N O12 Si2 1.525(6) . 1_555 N P1 O1 1.518(5) . 1_555 N P1 O5 1.520(5) . 1_555 N P1 O6 1.502(5) . 1_555 N P1 O9 1.504(5) . 1_555 N Si1 Al1 3.095(6) . 1_555 N Si1 Al3 3.091(7) . 1_545 N Si1 Al3 3.098(7) . 2_665 N Si1 Al3 3.109(6) . -3_655 N Si1 O1 1.518(5) . 1_555 N Si1 O5 1.520(5) . 1_555 N Si1 O6 1.502(5) . 1_555 N Si1 O9 1.504(5) . 1_555 N P2 Al2 3.069(6) . 1_545 N P2 O2 1.527(5) . 1_555 N P2 O8 1.525(5) . 1_555 N P2 O10 1.500(5) . 1_555 N P2 O12 1.525(6) . 1_555 N Si2 Al1 3.116(7) . 1_555 N Si2 Al2 3.069(6) . 1_545 N Si2 Al2 3.094(7) . -5_565 N Si2 O2 1.527(5) . 1_555 N Si2 O8 1.525(5) . 1_555 N Si2 O10 1.500(5) . 1_555 N Si2 O12 1.525(6) . 1_555 N P3 O3 1.534(6) . 1_555 N P3 O4 1.552(6) . 1_555 N P3 O7 1.532(4) . 6_665 N P3 O11 1.516(4) . 4_555 N Si3 Al3 3.116(6) . 5_655 N Si3 O3 1.534(6) . 1_555 N Si3 O4 1.552(6) . 1_555 N Si3 O7 1.532(4) . 6_665 N Si3 O11 1.516(4) . 4_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 9621.0 0.0001039 11195.21777 11195.21777 9765.0 0.0001024 11193.13770 11193.13770 9913.0 0.0001009 11191.05664 11191.05664 10050.0 0.0000995 11188.98633 11188.98633 10160.0 0.0000984 11186.91797 11186.91797 10397.0 0.0000962 11184.80176 11184.80176 10517.0 0.0000951 11182.75098 11182.75098 10577.0 0.0000945 11180.64941 11180.64941 10724.0 0.0000932 11178.58496 11178.58496 10875.0 0.0000920 11176.51074 11176.51074 10981.0 0.0000911 11174.38770 11174.38770 11086.0 0.0000902 11172.30273 11172.30273 11193.0 0.0000893 11170.21680 11170.21680 11197.0 0.0000893 11168.15820 11168.15820 11319.0 0.0000883 11166.03613 11166.03613 11446.0 0.0000874 11163.93750 11163.93750 11517.0 0.0000868 11161.85547 11161.85547 11625.0 0.0000860 11159.75781 11159.75781 11620.0 0.0000861 11157.59473 11157.59473 11688.0 0.0000856 11155.53027 11155.53027 11801.0 0.0000847 11153.42578 11153.42578 11811.0 0.0000847 11151.32520 11151.32520 11829.0 0.0000845 11149.23047 11149.23340 11829.0 0.0000845 11147.08203 11147.08496 11819.0 0.0000846 11144.98730 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1485.0 . . . 1467.0 . . . 1479.0 . . . 1475.0 . . . 1476.0 . . . 1483.0 . . . 1467.0 . . . 1472.0 . . . 1506.0 . . . 1494.0 . . . 1480.0 . . . 1475.0 . . . 1486.0 . . . 1485.0 . . . 1473.0 . . . 1489.0 . . . 1470.0 . . . 1472.0 . . . 1476.0 . . . 1473.0 . . . 1466.0 . . . 1461.0 . . . 1470.0 . . . 1485.0 . . . 1491.0 . . . 1473.0 . . . 1489.0 . . . 1485.0 . . . 1477.0 . . . 1485.0 . . . 1470.0 . . . 1464.0 . . . 1466.0 . . . 1475.0 . . . 1480.0 . . . 1468.0 . . . 1476.0 . . . 1484.0 . . . 1468.0 . . . 1477.0 . . . 1486.0 . . . 1474.0 . . . 1465.0 . . . 1460.0 . . . 1453.0 . . . 1461.0 . . . 1480.0 . . . 1483.0 . . . 1487.0 . . . 1497.0 . . . 1487.0 . . . 1466.0 . . . 1499.0 . . . 1467.0 . . . 1461.0 . . . 1461.0 . . . 1467.0 . . . 1472.0 . . . 1487.0 . . . 1474.0 . . . 1476.0 . . . 1458.0 . . . 1473.0 . . . 1459.0 . . . 1461.0 . . . 1479.0 . . . 1489.0 . . . 1469.0 . . . 1453.0 . . . 1459.0 . . . 1478.0 . . . 1466.0 . . . 1464.0 . . . 1453.0 . . . 1437.0 . . . 1478.0 . . . 1478.0 . . . 1466.0 . . . 1470.0 . . . 1480.0 . . . 1462.0 . . . 1475.0 . . . 1464.0 . . . 1466.0 . . . 1464.0 . . . 1449.0 . . . 1460.0 . . . 1464.0 . . . 1441.0 . . . 1448.0 . . . 1455.0 . . . 1453.0 . . . 1487.0 . . . 1463.0 . . . 1454.0 . . . 1463.0 . . . 1456.0 . . . 1455.0 . . . 1452.0 . . . 1453.0 . . . 1449.0 . . . 1454.0 . . . 1461.0 . . . 1454.0 . . . 1460.0 . . . 1460.0 . . . 1444.0 . . . 1454.0 . . . 1446.0 . . . 1457.0 . . . 1465.0 . . . 1455.0 . . . 1449.0 . . . 1445.0 . . . 1449.0 . . . 1450.0 . . . 1456.0 . . . 1440.0 . . . 1441.0 . . . 1455.0 . . . 1450.0 . . . 1460.0 . . . 1457.0 . . . 1444.0 . . . 1456.0 . . . 1455.0 . . . 1443.0 . . . 1440.0 . . . 1459.0 . . . 1457.0 . . . 1455.0 . . . 1449.0 . . . 1462.0 . . . 1451.0 . . . 1449.0 . . . 1450.0 . . . 1444.0 . . . 1422.0 . . . 1445.0 . . . 1448.0 . . . 1446.0 . . . 1424.0 . . . 1445.0 . . . 1438.0 . . . 1444.0 . . . 1438.0 . . . 1437.0 . . . 1444.0 . . . 1479.0 . . . 1459.0 . . . 1450.0 . . . 1425.0 . . . 1431.0 . . . 1462.0 . . . 1426.0 . . . 1431.0 . . . 1431.0 . . . 1428.0 . . . 1453.0 . . . 1445.0 . . . 1439.0 . . . 1430.0 . . . 1430.0 . . . 1437.0 . . . 1433.0 . . . 1432.0 . . . 1440.0 . . . 1435.0 . . . 1436.0 . . . 1441.0 . . . 1437.0 . . . 1442.0 . . . 1433.0 . . . 1426.0 . . . 1449.0 . . . 1418.0 . . . 1440.0 . . . 1431.0 . . . 1435.0 . . . 1440.0 . . . 1421.0 . . . 1434.0 . . . 1426.0 . . . 1433.0 . . . 1429.0 . . . 1462.0 . . . 1436.0 . . . 1442.0 . . . 1447.0 . . . 1422.0 . . . 1449.0 . . . 1428.0 . . . 1422.0 . . . 1442.0 . . . 1441.0 . . . 1445.0 . . . 1429.0 . . . 1429.0 . . . 1427.0 . . . 1430.0 . . . 1426.0 . . . 1428.0 . . . 1434.0 . . . 1431.0 . . . 1418.0 . . . 1431.0 . . . 1442.0 . . . 1431.0 . . . 1430.0 . . . 1447.0 . . . 1432.0 . . . 1417.0 . . . 1420.0 . . . 1439.0 . . . 1446.0 . . . 1433.0 . . . 1435.0 . . . 1427.0 . . . 1444.0 . . . 1442.0 . . . 1432.0 . . . 1432.0 . . . 1420.0 . . . 1449.0 . . . 1438.0 . . . 1425.0 . . . 1434.0 . . . 1422.0 . . . 1426.0 . . . 1460.0 . . . 1453.0 . . . 1444.0 . . . 1409.0 . . . 1428.0 . . . 1421.0 . . . 1437.0 . . . 1433.0 . . . 1425.0 . . . 1431.0 . . . 1451.0 . . . 1448.0 . . . 1433.0 . . . 1421.0 . . . 1434.0 . . . 1439.0 . . . 1399.0 . . . 1434.0 . . . 1431.0 . . . 1432.0 . . . 1434.0 . . . 1431.0 . . . 1426.0 . . . 1418.0 . . . 1434.0 . . . 1420.0 . . . 1426.0 . . . 1427.0 . . . 1426.0 . . . 1431.0 . . . 1425.0 . . . 1435.0 . . . 1432.0 . . . 1441.0 . . . 1428.0 . . . 1424.0 . . . 1425.0 . . . 1432.0 . . . 1415.0 . . . 1441.0 . . . 1435.0 . . . 1417.0 . . . 1422.0 . . . 1413.0 . . . 1402.0 . . . 1415.0 . . . 1425.0 . . . 1441.0 . . . 1411.0 . . . 1418.0 . . . 1417.0 . . . 1422.0 . . . 1424.0 . . . 1447.0 . . . 1416.0 . . . 1418.0 . . . 1416.0 . . . 1420.0 . . . 1424.0 . . . 1412.0 . . . 1404.0 . . . 1411.0 . . . 1415.0 . . . 1435.0 . . . 1411.0 . . . 1420.0 . . . 1417.0 . . . 1405.0 . . . 1413.0 . . . 1417.0 . . . 1420.0 . . . 1428.0 . . . 1423.0 . . . 1412.0 . . . 1422.0 . . . 1428.0 . . . 1423.0 . . . 1394.0 . . . 1416.0 . . . 1414.0 . . . 1401.0 . . . 1413.0 . . . 1422.0 . . . 1426.0 . . . 1408.0 . . . 1435.0 . . . 1411.0 . . . 1427.0 . . . 1432.0 . . . 1411.0 . . . 1404.0 . . . 1410.0 . . . 1411.0 . . . 1433.0 . . . 1411.0 . . . 1401.0 . . . 1402.0 . . . 1408.0 . . . 1423.0 . . . 1413.0 . . . 1412.0 . . . 1420.0 . . . 1410.0 . . . 1404.0 . . . 1418.0 . . . 1402.0 . . . 1397.0 . . . 1415.0 . . . 1400.0 . . . 1395.0 . . . 1398.0 . . . 1412.0 . . . 1404.0 . . . 1398.0 . . . 1391.0 . . . 1399.0 . . . 1391.0 . . . 1410.0 . . . 1408.0 . . . 1403.0 . . . 1389.0 . . . 1409.0 . . . 1403.0 . . . 1411.0 . . . 1419.0 . . . 1410.0 . . . 1413.0 . . . 1402.0 . . . 1416.0 . . . 1416.0 . . . 1403.0 . . . 1417.0 . . . 1416.0 . . . 1415.0 . . . 1405.0 . . . 1390.0 . . . 1413.0 . . . 1417.0 . . . 1422.0 . . . 1410.0 . . . 1402.0 . . . 1393.0 . . . 1404.0 . . . 1404.0 . . . 1402.0 . . . 1410.0 . . . 1402.0 . . . 1382.0 . . . 1394.0 . . . 1398.0 . . . 1402.0 . . . 1382.0 . . . 1400.0 . . . 1402.0 . . . 1407.0 . . . 1391.0 . . . 1403.0 . . . 1418.0 . . . 1400.0 . . . 1395.0 . . . 1399.0 . . . 1406.0 . . . 1409.0 . . . 1404.0 . . . 1388.0 . . . 1392.0 . . . 1405.0 . . . 1406.0 . . . 1402.0 . . . 1396.0 . . . 1384.0 . . . 1405.0 . . . 1406.0 . . . 1399.0 . . . 1396.0 . . . 1408.0 . . . 1394.0 . . . 1402.0 . . . 1414.0 . . . 1405.0 . . . 1406.0 . . . 1404.0 . . . 1403.0 . . . 1390.0 . . . 1387.0 . . . 1395.0 . . . 1399.0 . . . 1388.0 . . . 1412.0 . . . 1398.0 . . . 1408.0 . . . 1397.0 . . . 1401.0 . . . 1406.0 . . . 1410.0 . . . 1406.0 . . . 1393.0 . . . 1392.0 . . . 1405.0 . . . 1432.0 . . . 1381.0 . . . 1401.0 . . . 1414.0 . . . 1417.0 . . . 1406.0 . . . 1383.0 . . . 1419.0 . . . 1421.0 . . . 1400.0 . . . 1401.0 . . . 1414.0 . . . 1405.0 . . . 1410.0 . . . 1401.0 . . . 1389.0 . . . 1391.0 . . . 1379.0 . . . 1410.0 . . . 1391.0 . . . 1399.0 . . . 1407.0 . . . 1414.0 . . . 1404.0 . . . 1399.0 . . . 1397.0 . . . 1414.0 . . . 1417.0 . . . 1409.0 . . . 1429.0 . . . 1418.0 . . . 1426.0 . . . 1415.0 . . . 1424.0 . . . 1396.0 . . . 1394.0 . . . 1387.0 . . . 1405.0 . . . 1429.0 . . . 1413.0 . . . 1411.0 . . . 1413.0 . . . 1412.0 . . . 1391.0 . . . 1401.0 . . . 1399.0 . . . 1390.0 . . . 1411.0 . . . 1412.0 . . . 1388.0 . . . 1402.0 . . . 1411.0 . . . 1399.0 . . . 1416.0 . . . 1397.0 . . . 1431.0 . . . 1397.0 . . . 1391.0 . . . 1405.0 . . . 1408.0 . . . 1387.0 . . . 1397.0 . . . 1397.0 . . . 1400.0 . . . 1413.0 . . . 1410.0 . . . 1407.0 . . . 1401.0 . . . 1396.0 . . . 1368.0 . . . 1396.0 . . . 1402.0 . . . 1405.0 . . . 1395.0 . . . 1382.0 . . . 1385.0 . . . 1390.0 . . . 1385.0 . . . 1406.0 . . . 1370.0 . . . 1363.0 . . . 1397.0 . . . 1392.0 . . . 1381.0 . . . 1386.0 . . . 1388.0 . . . 1386.0 . . . 1403.0 . . . 1385.0 . . . 1402.0 . . . 1392.0 . . . 1373.0 . . . 1373.0 . . . 1390.0 . . . 1369.0 . . . 1388.0 . . . 1379.0 . . . 1411.0 . . . 1393.0 . . . 1378.0 . . . 1382.0 . . . 1413.0 . . . 1418.0 . . . 1383.0 . . . 1407.0 . . . 1424.0 . . . 1397.0 . . . 1367.0 . . . 1379.0 . . . 1394.0 . . . 1395.0 . . . 1368.0 . . . 1394.0 . . . 1345.0 . . . 1405.0 . . . 1395.0 . . . 1380.0 . . . 1385.0 . . . 1405.0 . . . 1415.0 . . . 1402.0 . . . 1412.0 . . . 1402.0 . . . 1387.0 . . . 1376.0 . . . 1402.0 . . . 1409.0 . . . 1401.0 . . . 1390.0 . . . 1388.0 . . . 1377.0 . . . 1391.0 . . . 1378.0 . . . 1366.0 . . . 1401.0 . . . 1426.0 . . . 1417.0 . . . 1416.0 . . . 1400.0 . . . 1353.0 . . . 1418.0 . . . 1368.0 . . . 1416.0 . . . 1394.0 . . . 1413.0 . . . 1379.0 . . . 1378.0 . . . 1356.0 . . . 1375.0 . . . 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 0 0 2 o 0.000 32.023 0.00 15.29167 0.00 1 0 0 o 153576.67 156731.78 0.00 11.39254 100.00 1 0 1 o 19305.385 19169.082 180.00 10.67589 22.08 1 0 2 o 8.337 0.243 180.00 9.13584 0.01 1 0 3 o 26374.154 19672.318 180.00 7.59695 15.28 0 0 4 o 106491.93 82673.48 180.00 7.64584 10.41 1 1 0 o 254798.62 269678.62 180.00 6.57748 55.32 1 0 4 o 50774.28 52553.18 0.00 6.34862 20.54 1 1 2 o 0.000 259.162 0.00 6.04224 0.00 1 1 -2 o 0.000 232.007 180.00 6.04224 0.00 2 0 0 o 50398.23 56662.48 180.00 5.69627 8.21 2 0 1 o 5169.596 6257.396 180.00 5.59996 1.63 1 0 5 o 3036.471 15273.163 0.00 5.38906 0.89 2 0 2 o 0.000 0.026 180.00 5.33794 0.00 1 1 4 o 0.000 3485.746 0.00 4.98629 0.00 2 0 3 o 0.000 8511.176 180.00 4.97265 0.00 0 0 6 o 0.000 591.680 180.00 5.09722 0.00 2 0 4 o 36412.91 33216.652 180.00 4.56792 7.63 1 0 6 o 0.000 0.544 0.00 4.65275 0.00 1 1 -4 o 2907.144 4218.117 0.00 4.98629 0.36 2 1 1 o 7367.695 5878.823 0.00 4.26392 1.35 2 1 0 o 104042.23 79980.92 180.00 4.30597 19.37 2 1 2 o 8975.634 4947.293 0.00 4.14478 1.55 1 1 6 o 21093.922 8633.334 0.00 4.02902 1.72 2 1 -1 o 30385.408 26346.518 180.00 4.26392 5.55 2 0 5 o 13170.430 7724.439 0.00 4.16858 2.30 2 1 3 o 29604.891 15642.751 0.00 3.96665 4.68 1 0 7 o 20912.812 13746.769 0.00 4.07935 3.50 2 1 -2 o 7962.400 4923.424 180.00 4.14478 1.37 2 1 4 o 42388.41 28838.016 180.00 3.75189 5.99 2 0 6 o 4.699 3.152 180.00 3.79848 0.00 2 1 5 o 1317.884 5011.560 180.00 3.52101 0.16 2 1 -3 o 12079.510 9682.517 180.00 3.96665 1.91 3 0 1 o 271.045 120.925 0.00 3.76857 0.04 1 1 -6 o 10821.418 7765.440 180.00 4.02902 0.88 0 0 8 o 172567.17 128702.85 180.00 3.82292 4.22 1 0 8 o 173493.69 158335.98 180.00 3.62431 22.90 3 0 2 o 63.986 51.485 180.00 3.68556 0.01 3 0 0 o 128125.55 99616.71 0.00 3.79751 9.28 3 0 3 o 0.000 272.276 0.00 3.55863 0.00 2 0 7 o 0.000 7042.949 0.00 3.46674 0.00 2 1 6 o 601.983 1534.639 0.00 3.28937 0.07 1 1 8 o 478.702 1730.077 0.00 3.30520 0.03 2 1 -4 o 42342.63 33206.086 180.00 3.75189 5.99 3 0 4 o 0.000 180.900 180.00 3.40111 0.00 2 2 2 o 0.000 19.656 180.00 3.21522 0.00 2 2 0 o 113587.73 169485.30 180.00 3.28874 6.17 3 0 5 o 0.000 354.292 180.00 3.22629 0.00 2 1 7 o 0.000 7530.070 180.00 3.06684 0.00 2 0 8 o 39743.56 48828.96 0.00 3.17431 4.03 3 1 0 o 5483.404 7184.395 0.00 3.15972 0.55 3 1 2 o 0.000 82.129 0.00 3.09435 0.00 2 1 -5 o 11949.964 13532.803 0.00 3.52101 1.49 2 2 4 o 0.000 400.979 0.00 3.02112 0.00 1 0 9 o 1414.562 8154.598 180.00 3.25638 0.15 3 1 1 o 0.000 34.877 0.00 3.14299 0.00 3 1 3 o 0.000 826.251 0.00 3.01808 0.00 3 1 -1 o 0.000 3679.186 180.00 3.14299 0.00 3 0 6 o 0.000 5.408 0.00 3.04528 0.00 3 1 4 o 12965.276 18089.084 0.00 2.92018 1.11 2 2 -2 o 0.000 95.891 0.00 3.21522 0.00 1 1 -8 o 6355.029 4693.766 0.00 3.30520 0.35 2 1 8 o 87346.15 71594.94 0.00 2.85881 7.18 2 1 -6 o 1899.703 1957.585 180.00 3.28937 0.21 3 1 -2 o 0.000 151.078 180.00 3.09435 0.00 2 2 6 o 2614.072 942.521 0.00 2.76347 0.10 3 0 7 o 89.541 55.814 180.00 2.86616 0.01 2 0 9 o 2992.203 3717.795 180.00 2.91831 0.26 3 1 5 o 8803.418 5636.884 180.00 2.80728 0.70 1 0 10 o 0.000 17.751 180.00 2.95375 0.00 3 1 6 o 499.456 168.880 0.00 2.68559 0.04 1 1 10 o 609.345 177.158 180.00 2.77321 0.02 2 1 9 o 4079.752 2991.823 0.00 2.66754 0.29 3 1 -3 o 0.000 5816.893 180.00 3.01808 0.00 0 0 10 o 0.000 243.823 0.00 3.05833 0.00 2 1 -7 o 4744.665 5128.538 0.00 3.06684 0.45 2 2 -4 o 0.000 256.732 0.00 3.02112 0.00 3 0 8 o 165.187 77.263 180.00 2.69418 0.01 4 0 2 o 3.021 1.503 180.00 2.79998 0.00 4 0 1 o 62596.36 62337.02 180.00 2.83586 5.06 3 1 7 o 1314.094 606.653 180.00 2.56032 0.09 4 0 3 o 42046.79 36376.80 180.00 2.74309 3.18 2 0 10 o 23.531 11.408 0.00 2.69453 0.00 3 1 -4 o 14618.860 15788.932 0.00 2.92018 1.25 4 0 4 o 116162.78 94520.86 0.00 2.66897 8.32 3 2 2 o 543.068 289.675 180.00 2.57627 0.04 3 2 1 o 468.921 80.400 0.00 2.60413 0.03 4 0 0 o 188854.22 168659.23 0.00 2.84813 7.70 2 1 10 o 16.346 11.316 0.00 2.49342 0.00 2 2 8 o 11798.910 8086.428 0.00 2.49314 0.37 1 0 11 o 11598.052 8901.503 180.00 2.70103 0.85 3 2 3 o 192.606 46.902 0.00 2.53175 0.01 3 2 0 o 5026.311 1438.049 180.00 2.61363 0.35 2 1 -8 o 89209.07 82257.07 0.00 2.85881 7.33 3 2 4 o 10268.318 8273.133 180.00 2.47312 0.63 4 0 5 o 15951.508 10375.004 0.00 2.58195 1.07 3 0 9 o 15.447 3.835 180.00 2.53232 0.00 3 1 -5 o 2528.763 2295.026 0.00 2.80728 0.20 3 2 -1 o 353.198 58.957 180.00 2.60413 0.02 3 1 8 o 2960.563 2534.504 180.00 2.43551 0.18 1 1 -10 o 922.939 271.064 0.00 2.77321 0.04 2 2 -6 o 1351.847 510.507 180.00 2.76347 0.05 3 2 5 o 807.659 1416.692 180.00 2.40341 0.05 4 0 6 o 3.831 3.284 0.00 2.48633 0.00 4 1 1 o 4155.077 3655.059 180.00 2.47788 0.26 3 2 -2 o 1003.289 587.527 0.00 2.57627 0.07 2 0 11 o 8509.674 5207.073 180.00 2.49857 0.53 4 1 3 o 52.902 55.051 180.00 2.41527 0.00 4 1 2 o 752.579 423.483 0.00 2.45384 0.05 3 2 6 o 0.000 203.572 180.00 2.32571 0.00 4 1 0 o 43333.29 37901.10 0.00 2.48606 2.70 3 1 9 o 0.000 1431.936 0.00 2.31396 0.00 3 1 -6 o 73.450 20.849 180.00 2.68559 0.01 2 1 -9 o 4339.536 4796.022 180.00 2.66754 0.31 2 1 11 o 826.376 3100.695 0.00 2.33572 0.05 4 1 -1 o 285.307 257.994 0.00 2.47788 0.02 4 1 4 o 0.000 1218.372 0.00 2.36422 0.00 4 0 7 o 851.221 2531.674 0.00 2.38594 0.05 1 0 12 o 2721.270 2427.166 180.00 2.48714 0.17 3 0 10 o 23.484 62.429 180.00 2.38193 0.00 4 1 5 o 1580.422 3094.751 180.00 2.30309 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4 2 o 1.073 1.027 0.00 1.30207 0.00 5 4 -5 o 1569.356 1940.171 180.00 1.41888 0.03 8 0 2 o 5.982 7.304 180.00 1.41793 0.00 5 0 19 o 578.174 487.379 180.00 1.31468 0.01 4 3 -14 o 0.701 0.864 0.00 1.42188 0.00 5 4 13 o 1705.326 1683.208 0.00 1.23971 0.03 6 3 -4 o 496.552 556.179 180.00 1.41068 0.01 7 1 13 o 253.798 236.116 180.00 1.27015 0.00 5 3 16 o 141.980 136.230 0.00 1.23918 0.00 5 5 2 o 56.403 45.237 0.00 1.31066 0.00 5 5 4 o 281.435 250.298 180.00 1.29645 0.00 6 4 3 o 297.563 266.115 180.00 1.29621 0.01 6 4 7 o 38.152 38.539 0.00 1.25201 0.00 7 2 10 o 122.556 127.329 180.00 1.26681 0.00 8 0 3 o 9510.845 10593.797 0.00 1.41037 0.19 6 4 6 o 179.702 190.350 0.00 1.26587 0.00 5 1 19 o 215.596 229.815 0.00 1.26511 0.00 6 0 17 o 113.912 91.531 0.00 1.30594 0.00 6 2 15 o 4829.000 4629.284 180.00 1.24883 0.08 6 4 1 o 43.496 35.554 180.00 1.30562 0.00 7 0 14 o 6.761 5.708 180.00 1.30512 0.00 8 0 4 o 42781.41 50701.85 0.00 1.39999 0.85 4 4 16 o 94665.05 92079.08 0.00 1.24657 0.75 1 1 22 o 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3911.962 5060.349 180.00 1.39680 0.08 6 4 8 o 3084.679 2450.929 0.00 1.23656 0.05 8 1 2 o 88.913 131.939 0.00 1.32836 0.00 7 3 4 o 8376.507 8879.351 180.00 1.26412 0.14 0 0 22 o 2520.981 2474.706 180.00 1.39015 0.01 6 1 17 o 131.538 126.550 180.00 1.24972 0.00 7 2 -3 o 338.722 366.105 0.00 1.37903 0.01 7 3 2 o 465.359 404.894 180.00 1.27728 0.01 8 1 5 o 3729.728 3576.228 0.00 1.30280 0.06 8 1 6 o 4.620 3.990 180.00 1.28999 0.00 8 0 9 o 21499.096 17755.641 0.00 1.31340 0.38 8 1 7 o 9681.884 8742.447 0.00 1.27532 0.16 4 2 20 o 15505.250 15047.760 180.00 1.24671 0.25 5 4 -7 o 4364.315 3976.891 180.00 1.38359 0.08 7 3 3 o 46.020 42.242 180.00 1.27175 0.00 2 2 -20 o 7052.957 5877.657 180.00 1.38661 0.07 5 5 8 o 2093.819 2096.233 180.00 1.24391 0.02 4 0 21 o 6155.584 5436.480 0.00 1.29667 0.11 7 3 6 o 583.663 590.237 180.00 1.24306 0.01 6 3 -6 o 180.921 181.753 0.00 1.38159 0.00 4 1 21 o 2000.481 2077.971 180.00 1.25661 0.03 5 4 14 o 1.578 1.633 0.00 1.21309 0.00 1 0 22 o 5.820 6.231 180.00 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0.85 6 2 16 o 5803.576 5700.431 180.00 1.21775 0.09 2 0 22 o 0.319 0.360 180.00 1.35052 0.00 3 2 -19 o 665.783 611.248 180.00 1.37058 0.01 3 0 22 o 5.232 4.303 180.00 1.30543 0.00 5 0 20 o 58409.97 54599.39 0.00 1.26972 0.96 7 3 7 o 5681.489 6547.365 180.00 1.22992 0.09 7 3 0 o 16008.710 13364.446 180.00 1.28176 0.27 7 3 8 o 70957.87 71556.64 0.00 1.21527 1.07 6 3 -7 o 29.339 27.659 0.00 1.36362 0.00 5 4 -8 o 58227.55 56487.38 180.00 1.36283 1.10 6 4 -2 o 6.259 6.095 180.00 1.30207 0.00 8 1 9 o 247.219 256.599 180.00 1.24126 0.00 5 1 20 o 4278.115 4830.690 180.00 1.22490 0.07 7 2 -5 o 457.442 584.057 180.00 1.35713 0.01 1 1 -22 o 422.212 490.702 180.00 1.36011 0.00 6 1 -14 o 216.718 263.127 180.00 1.35975 0.00 5 5 10 o 269.003 255.837 0.00 1.20845 0.00 5 2 -15 o 668.236 825.534 0.00 1.35952 0.01 7 3 -1 o 4883.115 4100.113 0.00 1.28064 0.08 8 1 0 o 25224.297 27295.879 0.00 1.33340 0.46 7 1 -10 o 334.997 462.563 0.00 1.35323 0.01 8 0 11 o 25702.529 26420.768 0.00 1.26748 0.42 4 1 -19 o 235.241 310.114 180.00 1.35116 0.00 5 1 -17 o 18.792 24.492 180.00 1.35107 0.00 6 1 18 o 14.241 14.483 180.00 1.21473 0.00 3 2 22 o 56.550 69.010 180.00 1.22734 0.00 7 0 16 o 539.441 526.704 0.00 1.23918 0.01 7 1 15 o 287.803 299.572 180.00 1.21292 0.00 6 3 -8 o 5334.837 5101.688 180.00 1.34374 0.10 7 2 -6 o 644.473 582.025 0.00 1.34267 0.01 2 1 23 o 4472.944 4099.295 180.00 1.27051 0.07 8 1 10 o 49.626 50.764 180.00 1.22228 0.00 6 2 -12 o 2698.131 2484.204 0.00 1.34279 0.05 5 4 -9 o 761.408 600.908 0.00 1.34039 0.01 3 3 -18 o 33.764 33.736 180.00 1.34301 0.00 7 3 -2 o 491.512 426.309 0.00 1.27728 0.01 6 4 -3 o 2236.203 1999.162 0.00 1.29621 0.04 5 3 -13 o 1200.229 962.819 0.00 1.33844 0.02 8 0 12 o 6127.391 6208.317 180.00 1.24316 0.10 8 2 5 o 970.272 946.884 180.00 1.21813 0.01 4 3 -16 o 4238.870 3552.492 0.00 1.33777 0.08 8 1 -1 o 2.704 3.249 180.00 1.33213 0.00 6 0 19 o 954.345 1183.094 180.00 1.22782 0.01 4 2 -18 o 16.095 16.049 180.00 1.33377 0.00 8 2 4 o 209.310 255.083 0.00 1.22692 0.00 8 2 2 o 96.304 92.613 180.00 1.23894 0.00 4 1 22 o 240.871 250.688 180.00 1.21334 0.00 8 1 -2 o 68.489 104.357 180.00 1.32836 0.00 4 0 22 o 16.006 15.212 180.00 1.24928 0.00 5 5 -2 o 22.677 18.102 180.00 1.31066 0.00 7 2 -7 o 426.584 638.813 180.00 1.32615 0.01 8 2 3 o 1.323 1.045 180.00 1.23389 0.00 7 1 -11 o 655.237 1007.245 0.00 1.32624 0.01 6 3 -9 o 1331.109 1638.215 180.00 1.32222 0.02 8 1 -3 o 370.185 450.544 0.00 1.32213 0.01 8 2 6 o 1221.533 1140.394 180.00 1.20764 0.02 1 0 23 o 4816.753 5417.772 0.00 1.32074 0.09 8 2 1 o 5415.626 5612.247 180.00 1.24200 0.09 2 1 -22 o 383.895 503.619 180.00 1.32292 0.01 3 1 -21 o 1319.610 1705.481 0.00 1.32262 0.02 6 1 -15 o 424.603 539.429 180.00 1.32238 0.01 3 2 -20 o 9925.731 10971.674 180.00 1.31986 0.18 5 2 -16 o 13472.012 14682.762 180.00 1.31970 0.24 5 0 21 o 31.145 38.340 0.00 1.22711 0.00 3 1 23 o 2200.853 2574.273 180.00 1.22561 0.03 8 1 -4 o 5569.493 4555.225 0.00 1.31357 0.10 5 4 -10 o 743.791 657.841 0.00 1.31658 0.01 4 4 -14 o 81.270 65.226 0.00 1.31377 0.00 7 3 -3 o 12.440 11.360 0.00 1.27175 0.00 8 2 0 o 43396.13 44115.38 180.00 1.24303 0.69 6 2 -13 o 2318.917 1915.815 0.00 1.31156 0.04 7 2 -8 o 7304.276 5295.315 0.00 1.30784 0.13 8 0 13 o 22766.895 22160.277 180.00 1.21826 0.35 5 1 -18 o 10.076 6.779 180.00 1.30717 0.00 8 1 -5 o 1678.427 1688.594 180.00 1.30280 0.03 5 3 -14 o 1527.960 1276.512 0.00 1.30512 0.03 3 0 23 o 4.772 5.102 180.00 1.25500 0.00 6 3 -10 o 31.886 27.444 0.00 1.29934 0.00 2 0 23 o 5002.469 4635.156 0.00 1.29490 0.09 4 1 -20 o 16304.190 18412.551 0.00 1.30249 0.28 5 5 -4 o 59.591 52.805 0.00 1.29645 0.00 7 1 -12 o 5756.242 4698.319 180.00 1.29845 0.10 4 3 -17 o 645.624 526.799 0.00 1.29744 0.01 6 4 -4 o 773.612 633.223 180.00 1.28813 0.01 8 1 -6 o 143.561 123.865 0.00 1.28999 0.00 5 4 -11 o 1947.851 1774.583 0.00 1.29169 0.03 7 2 -9 o 4110.489 3321.477 0.00 1.28797 0.07 8 2 -1 o 58.464 60.798 0.00 1.24200 0.00 4 2 -19 o 274.295 230.313 0.00 1.28918 0.00 2 1 24 o 2009.196 2026.484 0.00 1.22192 0.03 6 1 -16 o 1674.235 1286.275 180.00 1.28565 0.03 6 4 -5 o 1197.859 1025.101 180.00 1.27797 0.02 5 2 -17 o 476.519 393.399 0.00 1.28093 0.01 2 2 -22 o 431.363 355.854 180.00 1.28046 0.00 6 2 -14 o 285.283 237.188 0.00 1.28016 0.00 6 3 -11 o 395.904 357.737 180.00 1.27540 0.01 8 1 -7 o 562.767 509.588 180.00 1.27532 0.01 0 0 24 o 128288.55 118955.41 0.00 1.27431 0.35 5 5 -6 o 743.834 693.196 180.00 1.27376 0.01 1 1 24 o 14185.014 13925.415 180.00 1.25104 0.11 3 1 -22 o 0.080 0.074 180.00 1.27245 0.00 3 2 -21 o 564.280 515.880 0.00 1.27218 0.01 5 3 -15 o 10357.952 9344.740 0.00 1.27196 0.17 7 3 -4 o 9653.554 10381.626 180.00 1.26412 0.16 2 1 -23 o 1859.156 1617.955 0.00 1.27051 0.03 7 1 -13 o 218.769 191.267 0.00 1.27015 0.00 7 2 -10 o 0.312 0.340 180.00 1.26681 0.00 1 0 24 o 4042.104 4393.460 180.00 1.26641 0.07 8 2 -2 o 174.489 169.715 0.00 1.23894 0.00 6 4 -6 o 280.538 307.925 180.00 1.26587 0.00 9 0 0 o 213344.28 235415.27 0.00 1.26584 1.75 9 0 1 o 468.669 513.125 0.00 1.26475 0.01 5 4 -12 o 14454.815 16301.549 180.00 1.26598 0.24 5 1 -19 o 803.724 916.817 180.00 1.26511 0.01 9 0 2 o 6.468 6.579 180.00 1.26152 0.00 8 1 -8 o 50321.44 49997.22 180.00 1.25901 0.81 9 0 7 o 0.008 0.008 0.00 1.21584 0.00 9 0 3 o 21.229 22.424 180.00 1.25619 0.00 9 0 6 o 0.572 0.728 180.00 1.22852 0.00 4 3 -18 o 179.743 176.480 180.00 1.25841 0.00 7 3 -5 o 1365.318 1470.151 0.00 1.25451 0.02 4 1 -21 o 67.662 71.433 0.00 1.25661 0.00 6 4 -7 o 2071.747 2107.363 180.00 1.25201 0.03 3 3 -20 o 21870.279 25489.051 180.00 1.25424 0.18 3 0 24 o 40845.42 37939.77 0.00 1.20810 0.61 9 0 4 o 10646.636 10032.660 180.00 1.24884 0.17 1 1 -24 o 27643.633 26932.652 180.00 1.25104 0.22 6 3 -12 o 22102.369 21205.504 0.00 1.25063 0.35 6 1 -17 o 731.089 671.489 0.00 1.24972 0.01 6 2 -15 o 2921.700 2689.966 0.00 1.24883 0.05 7 2 -11 o 5855.803 5867.397 0.00 1.24458 0.09 5 5 -8 o 3963.011 3984.614 180.00 1.24391 0.03 4 2 -20 o 12728.760 12396.055 180.00 1.24671 0.20 2 0 24 o 479.853 484.160 0.00 1.24357 0.01 4 4 -16 o 89959.77 88258.64 0.00 1.24657 0.71 9 0 5 o 199.159 204.253 0.00 1.23957 0.00 7 3 -6 o 84.958 86.499 0.00 1.24306 0.00 8 1 -9 o 9691.029 10593.196 0.00 1.24126 0.15 5 2 -18 o 421.063 418.953 0.00 1.24333 0.01 7 1 -14 o 389.079 421.818 180.00 1.24157 0.01 8 2 -3 o 131.579 100.889 180.00 1.23389 0.00 5 4 -13 o 5563.384 6291.459 180.00 1.23971 0.09 6 4 -8 o 6026.464 2810.666 0.00 1.23656 0.06 5 3 -16 o 1319.713 786.240 0.00 1.23918 0.01 7 3 -7 o 12073.846 15010.787 0.00 1.22992 0.19 8 2 -4 o 3044.759 3819.873 0.00 1.22692 0.05 3 2 -22 o 176.278 235.672 0.00 1.22734 0.00 3 1 -23 o 1041.895 1262.045 0.00 1.22561 0.02 6 3 -13 o 443.479 524.162 180.00 1.22528 0.01 5 1 -20 o 8391.618 9769.420 180.00 1.22490 0.13 7 2 -12 o 2467.307 2420.890 0.00 1.22154 0.04 6 4 -9 o 114.605 109.802 0.00 1.21973 0.00 8 1 -10 o 190.689 97.616 0.00 1.22228 0.00 2 1 -24 o 1532.562 771.996 0.00 1.22192 0.01 8 2 -5 o 6941.620 3370.814 0.00 1.21813 0.05 4 3 -19 o 4467.734 2156.413 0.00 1.22075 0.03 1 0 25 o 5336.406 2638.097 180.00 1.21634 0.04 7 3 -8 o 130922.64 66529.39 0.00 1.21527 1.00 6 2 -16 o 6467.788 3176.633 180.00 1.21775 0.05 6 1 -18 o 177.046 177.501 0.00 1.21473 0.00 4 1 -22 o 135.184 146.488 0.00 1.21334 0.00 5 4 -14 o 87.107 94.449 0.00 1.21309 0.00 7 1 -15 o 28.968 31.794 0.00 1.21292 0.00 5 5 -10 o 798.939 730.117 180.00 1.20845 0.01 8 2 -6 o 2153.338 1197.004 0.00 1.20764 0.02