data_WONG735_publ _pd_block_id 2015-08-17T10:52|WONG735|James_A._Kaduk|d2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2015-08-17T10:52 _audit_author_name "James A. Kaduk" _audit_update_record ; 2015-08-17T10:52 Initial CIF as created by GSAS2CIF ; #============================================================================= # this information describes the project, paper etc. for the CIF # # Acta Cryst. Section C papers and editorial correspondence is generated # # from the information in this section # # # # (from) CIF submission form for Rietveld refinements (Acta Cryst. C) # # Version 14 December 1998 # #============================================================================= # 1. SUBMISSION DETAILS _publ_contact_author_name ? # Name of author for correspondence _publ_contact_author_address # Address of author for correspondence ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_contact_letter ; ? ; _publ_requested_journal ? _publ_requested_coeditor_name ? _publ_requested_category ? # Acta C: one of CI/CM/CO/FI/FM/FO #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_footnote _publ_author_address ? #<--'Last name, first name' ; ? ; ; ? ; #============================================================================== # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep # Details of the preparation of the sample(s) # should be given here. ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #============================================================================= # 5. OVERALL REFINEMENT & COMPUTING DETAILS _refine_special_details ; ? ; _pd_proc_ls_special_details ; ? ; # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? #============================================================================== # 6. SAMPLE PREPARATION DATA # (In the unusual case where multiple samples are used in a single # Rietveld study, this information should be moved into the phase # blocks) # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? _pd_char_colour ? # use ICDD colour descriptions _refine_ls_shift/su_max 0.03 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 36 _refine_ls_goodness_of_fit_all 1.31 _refine_ls_number_restraints 34 _refine_ls_matrix_type full #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature ? _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name "(Ni0.8 Zn0.2) Co Nb4 O12" _cell_length_a 14.11190(13) _cell_length_b 5.69965(6) _cell_length_c 5.03332(5) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 404.844(8) _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M "P b c n" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y+1/2,+z 3 +x,-y,+z+1/2 4 -x+1/2,-y+1/2,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z -3 -x,+y,-z+1/2 -4 +x+1/2,+y+1/2,-z+1/2 # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS 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 Ni Ni1 0.0 0.1562(11) 0.25 0.4 Uiso 0.0332(24) 4 Zn Zn2 0.0 0.1562(11) 0.25 0.1 Uiso 0.0332(24) 4 Co Co3 0.0 0.1562(11) 0.25 0.5 Uiso 0.0332(24) 4 Nb Nb4 0.15959(16) 0.31844(34) 0.7466(20) 1.0 Uiso 0.0171(6) 8 O O5 0.0938(8) 0.3810(16) 0.3989(23) 1.0 Uiso 0.0270(21) 8 O O6 0.0763(6) 0.0913(15) 0.9312(14) 1.0 Uiso 0.0270(21) 8 O O7 0.2624(8) 0.1038(17) 0.5807(26) 1.0 Uiso 0.0270(21) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.25 Nb Ni0.20 O3 Zn0.05" _chemical_formula_weight 170.65 _cell_formula_units_Z 8 # MOLECULAR GEOMETRY 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 Ni1 O5 1.989(5) . 1_555 N Ni1 O5 1.989(5) . -3_555 N Ni1 O6 1.968(5) . 1_554 N Ni1 O6 1.996(5) . 3_554 N Ni1 O6 1.996(5) . -1_556 N Ni1 O6 1.968(5) . -3_556 N Zn2 Zn2 3.083(7) . 3_554 N Zn2 Zn2 3.083(7) . 3_555 N Zn2 O5 1.989(5) . 1_555 N Zn2 O5 1.989(5) . -3_555 N Zn2 O6 1.968(5) . 1_554 N Zn2 O6 1.996(5) . 3_554 N Zn2 O6 1.996(5) . -1_556 N Zn2 O6 1.968(5) . -3_556 N Co3 O5 1.989(5) . 1_555 N Co3 O5 1.989(5) . -3_555 N Co3 O6 1.968(5) . 1_554 N Co3 O6 1.996(5) . 3_554 N Co3 O6 1.996(5) . -1_556 N Co3 O6 1.968(5) . -3_556 N Nb4 Nb4 3.2583(25) . 3_564 N Nb4 Nb4 3.2583(25) . 3_565 N Nb4 O5 2.012(7) . 1_555 N Nb4 O5 2.094(6) . 3_565 N Nb4 O6 1.980(6) . 1_555 N Nb4 O7 2.074(6) . 1_555 N Nb4 O7 2.134(7) . 2_555 N Nb4 O7 2.058(7) . 4_555 N O5 Ni1 1.989(5) . 1_555 N O5 Zn2 1.989(5) . 1_555 N O5 Co3 1.989(5) . 1_555 N O5 Nb4 2.012(7) . 1_555 N O5 Nb4 2.094(6) . 3_564 N O6 Ni1 1.968(5) . 1_556 N O6 Ni1 1.996(5) . 3_555 N O6 Zn2 1.968(5) . 1_556 N O6 Zn2 1.996(5) . 3_555 N O6 Co3 1.968(5) . 1_556 N O6 Co3 1.996(5) . 3_555 N O6 Nb4 1.980(6) . 1_555 N O7 Nb4 2.074(6) . 1_555 N O7 Nb4 2.134(7) . 2_545 N O7 Nb4 2.058(7) . 4_554 N 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 O5 Ni1 O5 99.8(7) 1_555 . -3_556 N O5 Ni1 O6 93.7(5) 1_555 . 1_554 N O5 Ni1 O6 85.6(5) 1_555 . 3_554 N O5 Ni1 O6 170.7(5) 1_555 . -1_556 N O5 Ni1 O6 100.3(4) 1_555 . -3_557 N O5 Ni1 O6 100.3(4) -3_556 . 1_554 N O5 Ni1 O6 170.7(5) -3_556 . 3_554 N O5 Ni1 O6 85.6(5) -3_556 . -1_556 N O5 Ni1 O6 93.7(5) -3_556 . -3_557 N O6 Ni1 O6 86.80(30) 1_554 . 3_554 N O6 Ni1 O6 77.86(33) 1_554 . -1_556 N O6 Ni1 O6 158.3(6) 1_554 . -3_557 N O6 Ni1 O6 90.0(7) 3_554 . -1_556 N O6 Ni1 O6 77.86(33) 3_554 . -3_557 N O6 Ni1 O6 86.80(30) -1_556 . -3_557 N O5 Zn2 O5 99.8(7) 1_555 . -3_556 N O5 Zn2 O6 93.7(5) 1_555 . 1_554 N O5 Zn2 O6 85.6(5) 1_555 . 3_554 N O5 Zn2 O6 170.7(5) 1_555 . -1_556 N O5 Zn2 O6 100.3(4) 1_555 . -3_557 N O5 Zn2 O6 100.3(4) -3_556 . 1_554 N O5 Zn2 O6 170.7(5) -3_556 . 3_554 N O5 Zn2 O6 85.6(5) -3_556 . -1_556 N O5 Zn2 O6 93.7(5) -3_556 . -3_557 N O6 Zn2 O6 86.80(30) 1_554 . 3_554 N O6 Zn2 O6 77.86(33) 1_554 . -1_556 N O6 Zn2 O6 158.3(6) 1_554 . -3_557 N O6 Zn2 O6 90.0(7) 3_554 . -1_556 N O6 Zn2 O6 77.86(33) 3_554 . -3_557 N O6 Zn2 O6 86.80(30) -1_556 . -3_557 N O5 Co3 O5 99.8(7) 1_555 . -3_556 N O5 Co3 O6 93.7(5) 1_555 . 1_554 N O5 Co3 O6 85.6(5) 1_555 . 3_554 N O5 Co3 O6 170.7(5) 1_555 . -1_556 N O5 Co3 O6 100.3(4) 1_555 . -3_557 N O5 Co3 O6 100.3(4) -3_556 . 1_554 N O5 Co3 O6 170.7(5) -3_556 . 3_554 N O5 Co3 O6 85.6(5) -3_556 . -1_556 N O5 Co3 O6 93.7(5) -3_556 . -3_557 N O6 Co3 O6 86.80(30) 1_554 . 3_554 N O6 Co3 O6 77.86(33) 1_554 . -1_556 N O6 Co3 O6 158.3(6) 1_554 . -3_557 N O6 Co3 O6 90.0(7) 3_554 . -1_556 N O6 Co3 O6 77.86(33) 3_554 . -3_557 N O6 Co3 O6 86.80(30) -1_556 . -3_557 N O5 Nb4 O5 88.2(4) 1_555 . 3_565 N O5 Nb4 O6 104.5(4) 1_555 . 1_555 N O5 Nb4 O7 94.4(6) 1_555 . 1_555 N O5 Nb4 O7 76.27(25) 1_555 . 2_555 N O5 Nb4 O7 156.8(4) 1_555 . 4_555 N O5 Nb4 O6 95.7(5) 3_565 . 1_555 N O5 Nb4 O7 160.1(5) 3_565 . 1_555 N O5 Nb4 O7 75.4(5) 3_565 . 2_555 N O5 Nb4 O7 76.20(26) 3_565 . 4_555 N O6 Nb4 O7 102.61(35) 1_555 . 1_555 N O6 Nb4 O7 171.2(5) 1_555 . 2_555 N O6 Nb4 O7 94.3(6) 1_555 . 4_555 N O7 Nb4 O7 86.05(23) 1_555 . 2_555 N O7 Nb4 O7 94.70(27) 1_555 . 4_555 N O7 Nb4 O7 83.1(4) 2_555 . 4_555 N Ni1 O5 Zn2 0.0 1_555 . 1_555 N Ni1 O5 Co3 0.0 1_555 . 1_555 N Ni1 O5 Nb4 121.4(4) 1_555 . 1_555 N Ni1 O5 Nb4 133.1(4) 1_555 . 3_564 N Zn2 O5 Co3 0.0 1_555 . 1_555 N Zn2 O5 Nb4 121.4(4) 1_555 . 1_555 N Zn2 O5 Nb4 133.1(4) 1_555 . 3_564 N Co3 O5 Nb4 121.4(4) 1_555 . 1_555 N Co3 O5 Nb4 133.1(4) 1_555 . 3_564 N Nb4 O5 Nb4 105.02(27) 1_555 . 3_564 N Ni1 O6 Ni1 102.14(33) 1_556 . 3_555 N Ni1 O6 Zn2 0.0 1_556 . 1_556 N Ni1 O6 Zn2 102.14(33) 1_556 . 3_555 N Ni1 O6 Co3 0.0 1_556 . 1_556 N Ni1 O6 Co3 102.14(33) 1_556 . 3_555 N Ni1 O6 Nb4 125.8(5) 1_556 . 1_555 N Ni1 O6 Zn2 102.14(33) 3_555 . 1_556 N Ni1 O6 Zn2 0.0 3_555 . 3_555 N Ni1 O6 Co3 102.14(33) 3_555 . 1_556 N Ni1 O6 Co3 0.0 3_555 . 3_555 N Ni1 O6 Nb4 124.6(4) 3_555 . 1_555 N Zn2 O6 Zn2 102.14(33) 1_556 . 3_555 N Zn2 O6 Co3 0.0 1_556 . 1_556 N Zn2 O6 Co3 102.14(33) 1_556 . 3_555 N Zn2 O6 Nb4 125.8(5) 1_556 . 1_555 N Zn2 O6 Co3 102.14(33) 3_555 . 1_556 N Zn2 O6 Co3 0.0 3_555 . 3_555 N Zn2 O6 Nb4 124.6(4) 3_555 . 1_555 N Co3 O6 Co3 102.14(33) 1_556 . 3_555 N Co3 O6 Nb4 125.8(5) 1_556 . 1_555 N Co3 O6 Nb4 124.6(4) 3_555 . 1_555 N Nb4 O7 Nb4 130.8(4) 1_555 . 2_545 N Nb4 O7 Nb4 125.18(34) 1_555 . 4_554 N Nb4 O7 Nb4 102.00(29) 2_545 . 4_554 N # Powder diffraction data for histogram 1 #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature ? _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' 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 Ni 1.6 0.000 0.000 12.8376 3.87850 7.29200 0.25650 4.44380 12.1763 2.38000 66.3421 1.03410 International_Tables_Vol_C Zn 0.4 0.000 0.000 14.0743 3.26550 7.03180 0.23330 5.16520 10.3163 2.41000 58.7097 1.30410 International_Tables_Vol_C Co 2.0 0.000 0.000 12.2841 4.27910 7.34090 0.27840 4.00340 13.5359 2.34880 71.1692 1.01180 International_Tables_Vol_C Nb 8.0 0.000 0.000 17.6142 1.18865 12.0144 11.7660 4.04183 0.20479 3.53346 69.7957 3.75591 International_Tables_Vol_C O 24.0 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 _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.5 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 1.540593 1.000 K\a~1~ 1 1.544451 0.000 K\a~2~ 2 _pd_proc_ls_prof_R_factor 0.0317 _pd_proc_ls_prof_wR_factor 0.0435 _pd_proc_ls_prof_wR_expected 0.0358 _refine_ls_R_Fsqd_factor 0.20271 _pd_proc_ls_background_function ; GSAS Background function number 1 with 9 terms. Shifted Chebyshev function of 1st kind 1: 738.839 2: -103.090 3: 56.8581 4: -19.6014 5: 0.912886 6: -5.12956 7: -2.77588 8: -3.20680 9: -2.14963 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 3 Surface roughness abs. correction (Suortti) Terms = 0.34000 0.70000 Correction is not refined. ; _exptl_absorpt_correction_T_min 0.51080 _exptl_absorpt_correction_T_max 0.96754 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _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) = 1.949 #2(GV) = 0.000 #3(GW) = 1.735 #4(LX) = 3.094 #5(LY) = 0.757 #6(trns) = 5.141 #7(asym) = 3.0390 #8(shft) = 0.1754 #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 0.0020 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.00200 _pd_proc_info_datetime 2015-08-17T10:52:03 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 4.9976 _pd_meas_2theta_range_max 129.98076 _pd_meas_2theta_range_inc 0.02021 _pd_proc_2theta_range_min 4.9076 _pd_proc_2theta_range_max 129.89076 _pd_proc_2theta_range_inc 0.02021 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 1783.0 . . . 1836.0 . . . 1828.0 . . . 1725.0 . . . 1679.0 . . . 1684.0 . . . 1634.0 . . . 1588.0 . . . 1598.0 . . . 1584.0 . . . 1583.0 . . . 1564.0 . . . 1520.0 . . . 1522.0 . . . 1528.0 . . . 1518.0 . . . 1484.0 . . . 1514.0 . . . 1526.0 . . . 1490.0 . . . 1415.0 . . . 1399.0 . . . 1433.0 . . . 1408.0 . . . 1386.0 . . . 1414.0 . . . 1395.0 . . . 1356.0 . . . 1385.0 . . . 1406.0 . . . 1374.0 . . . 1380.0 . . . 1409.0 . . . 1339.0 . . . 1330.0 . . . 1343.0 . . . 1333.0 . . . 1311.0 . . . 1311.0 . . . 1288.0 . . . 1229.0 . . . 1220.0 . . . 1237.0 . . . 1280.0 . . . 1270.0 . . . 1196.0 . . . 1243.0 . . . 1278.0 . . . 1205.0 . . . 1228.0 . . . 1252.0 . . . 1244.0 . . . 1240.0 . . . 1204.0 . . . 1168.0 . . . 1173.0 . . . 1186.0 . . . 1207.0 . . . 1212.0 . . . 1215.0 . . . 1187.0 . . . 1118.0 . . . 1137.0 . . . 1138.0 . . . 1140.0 . . . 1137.0 . . . 1091.0 . . . 1074.0 . . . 1065.0 . . . 1099.0 . . . 1108.0 . . . 1111.0 . . . 1100.0 . . . 1071.0 . . . 1080.0 . . . 1083.0 . . . 1061.0 . . . 1077.0 . . . 1036.0 . . . 1019.0 . . . 1070.0 . . . 1050.0 . . . 1008.0 . . . 1012.0 . . . 1044.0 . . . 1010.0 . . . 1018.0 . . . 1031.0 . . . 970.0 . . . 983.0 . . . 1015.0 . . . 996.0 . . . 986.0 . . . 965.0 . . . 941.0 . . . 952.0 . . . 999.0 . . . 1001.0 . . . 989.0 . . . 978.0 . . . 950.0 . . . 959.0 . . . 932.0 . . . 911.0 . . . 944.0 . . . 940.0 . . . 928.0 . . . 934.0 . . . 941.0 . . . 953.0 . . . 947.0 . . . 924.0 . . . 897.0 . . . 908.0 . . . 921.0 . . . 940.0 . . . 926.0 . . . 875.0 . . . 905.0 . . . 922.0 . . . 904.0 . . . 893.0 . . . 920.0 . . . 885.0 . . . 852.0 . . . 872.0 . . . 866.0 . . . 849.0 . . . 847.0 . . . 875.0 . . . 888.0 . . . 861.0 . . . 853.0 . . . 869.0 . . . 878.0 . . . 838.0 . . . 838.0 . . . 867.0 . . . 895.0 . . . 881.0 . . . 832.0 . . . 825.0 . . . 819.0 . . . 845.0 . . . 830.0 . . . 816.0 . . . 854.0 . . . 843.0 . . . 814.0 . . . 810.0 . . . 816.0 . . . 797.0 . . . 805.0 . . . 810.0 . . . 786.0 . . . 822.0 . . . 858.0 . . . 794.0 . . . 788.0 . . . 823.0 . . . 791.0 . . . 768.0 . . . 774.0 . . . 803.0 . . . 847.0 . . . 850.0 . . . 818.0 . . . 792.0 . . . 824.0 . . . 799.0 . . . 766.0 . . . 782.0 . . . 797.0 . . . 797.0 . . . 779.0 . . . 795.0 . . . 811.0 . . . 785.0 . . . 761.0 . . . 792.0 . . . 774.0 . . . 744.0 . . . 759.0 . . . 786.0 . . . 779.0 . . . 775.0 . . . 776.0 . . . 759.0 . . . 796.0 . . . 799.0 . . . 791.0 . . . 786.0 . . . 783.0 . . . 785.0 . . . 810.0 . . . 815.0 . . . 788.0 . . . 762.0 . . . 761.0 . . . 770.0 . . . 756.0 . . . 758.0 . . . 766.0 . . . 754.0 . . . 748.0 . . . 758.0 . . . 776.0 . . . 772.0 . . . 776.0 . . . 788.0 . . . 758.0 . . . 740.0 . . . 724.0 . . . 742.0 . . . 786.0 . . . 797.0 . . . 773.0 . . . 759.0 . . . 775.0 . . . 765.0 . . . 760.0 . . . 738.0 . . . 727.0 . . . 764.0 . . . 770.0 . . . 750.0 . . . 765.0 . . . 780.0 . . . 762.0 . . . 761.0 . . . 717.0 . . . 718.0 . . . 726.0 . . . 743.0 . . . 763.0 . . . 723.0 . . . 744.0 . . . 759.0 . . . 743.0 . . . 749.0 . . . 752.0 . . . 734.0 . . . 727.0 . . . 723.0 . . . 741.0 . . . 737.0 . . . 745.0 . . . 770.0 . . . 784.0 . . . 750.0 . . . 748.0 . . . 750.0 . . . 773.0 . . . 732.0 . . . 710.0 . . . 756.0 . . . 774.0 . . . 780.0 . . . 776.0 . . . 771.0 . . . 739.0 . . . 738.0 . . . 772.0 . . . 791.0 . . . 796.0 . . . 758.0 . . . 770.0 . . . 775.0 . . . 807.0 . . . 821.0 . . . 809.0 . . . 803.0 . . . 814.0 . . . 828.0 . . . 845.0 . . . 849.0 . . . 839.0 . . . 831.0 . . . 810.0 . . . 839.0 . . . 827.0 . . . 834.0 . . . 841.0 . . . 797.0 . . . 808.0 . . . 817.0 . . . 819.0 . . . 829.0 . . . 845.0 . . . 847.0 . . . 810.0 . . . 811.0 . . . 794.0 . . . 811.0 . . . 848.0 . . . 827.0 . . . 832.0 . . . 856.0 . . . 862.0 . . . 827.0 . . . 781.0 . . . 829.0 . . . 823.0 . . . 820.0 . . . 847.0 . . . 832.0 . . . 843.0 . . . 877.0 . . . 870.0 . . . 807.0 . . . 821.0 . . . 852.0 . . . 826.0 . . . 808.0 . . . 796.0 . . . 828.0 . . . 855.0 . . . 852.0 . . . 837.0 . . . 816.0 . . . 844.0 . . . 859.0 . . . 867.0 . . . 882.0 . . . 858.0 . . . 833.0 . . . 806.0 . . . 825.0 . . . 827.0 . . . 823.0 . . . 813.0 . . . 768.0 . . . 818.0 . . . 863.0 . . . 843.0 . . . 846.0 . . . 824.0 . . . 806.0 . . . 848.0 . . . 879.0 . . . 837.0 . . . 778.0 . . . 807.0 . . . 827.0 . . . 816.0 . . . 833.0 . . . 841.0 . . . 815.0 0.001227 922.71222 923.76685 809.0 0.001236 922.51709 923.65344 829.0 0.001206 922.32202 923.54993 839.0 0.001192 922.12695 923.45801 833.0 0.001200 921.93195 923.37964 851.0 0.001175 921.73694 923.31750 826.0 0.001211 921.54199 923.27460 829.0 0.001206 921.34705 923.25494 856.0 0.001168 921.15216 923.26355 830.0 0.001205 920.95734 923.30688 818.0 0.001222 920.76251 923.39355 847.0 0.001181 920.56769 923.53497 850.0 0.001176 920.37292 923.74658 847.0 0.001181 920.17822 924.04987 883.0 0.001133 919.98352 924.47552 890.0 0.001124 919.78894 925.06866 872.0 0.001147 919.59430 925.89862 846.0 0.001182 919.39978 927.07593 858.0 0.001166 919.20520 928.78949 846.0 0.001182 919.01074 931.39374 861.0 0.001161 918.81628 935.75140 923.0 0.001083 918.62189 944.72382 932.0 0.001073 918.42755 966.36816 911.0 0.001098 918.23322 1010.71222 979.0 0.001021 918.03894 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881.13678 917.0 0.001091 880.64056 881.00995 891.0 0.001122 880.46320 880.89673 893.0 0.001120 880.28601 880.80225 909.0 0.001100 880.10889 880.73505 889.0 0.001125 879.93182 880.70862 896.0 0.001116 879.75494 880.74731 894.0 0.001119 879.57819 880.90070 886.0 0.001129 879.40149 881.30957 882.0 0.001134 879.22498 882.42847 891.0 0.001122 879.04852 885.23004 919.0 0.001088 878.87219 890.24585 946.0 0.001057 878.69598 897.24255 967.0 0.001034 878.51990 902.80896 965.0 0.001036 878.34393 910.27502 972.0 0.001029 878.16803 914.51953 962.0 0.001040 877.99231 908.89465 953.0 0.001049 877.81665 899.77606 921.0 0.001086 877.64117 891.34631 880.0 0.001136 877.46576 884.10327 875.0 0.001143 877.29047 880.58270 877.0 0.001140 877.11536 879.12500 891.0 0.001122 876.94031 878.35291 885.0 0.001130 876.76538 877.82404 875.0 0.001143 876.59058 877.41583 891.0 0.001122 876.41589 877.07849 884.0 0.001131 876.24133 876.78571 865.0 0.001156 876.06683 876.52246 870.0 0.001149 875.89252 876.27954 888.0 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688.62323 765.85852 782.0 0.001279 688.62445 753.64648 761.0 0.001314 688.62543 742.81775 744.0 0.001344 688.62622 733.00122 743.0 0.001346 688.62683 724.42163 726.0 0.001377 688.62720 717.56171 703.0 0.001422 688.62732 712.80713 710.0 0.001408 688.62726 710.15179 759.0 0.001318 688.62701 709.49780 764.0 0.001309 688.62646 710.95380 749.0 0.001335 688.62579 714.92883 739.0 0.001353 688.62482 721.97437 777.0 0.001287 688.62366 732.21344 769.0 0.001300 688.62231 744.19629 783.0 0.001277 688.62067 753.32941 763.0 0.001311 688.61884 754.17993 742.0 0.001348 688.61682 748.02606 788.0 0.001269 688.61450 741.72723 789.0 0.001267 688.61200 740.33984 787.0 0.001271 688.60925 745.32794 784.0 0.001276 688.60632 754.77936 782.0 0.001279 688.60309 762.56311 767.0 0.001304 688.59967 760.79712 720.0 0.001389 688.59601 749.00397 745.0 0.001342 688.59210 733.85675 719.0 0.001391 688.58795 720.90009 703.0 0.001422 688.58356 711.61230 719.0 0.001391 688.57898 705.68781 703.0 0.001422 688.57410 702.06110 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684.77582 764.27979 767.0 0.001304 684.72260 773.77588 776.0 0.001289 684.66895 770.14923 745.0 0.001342 684.61481 757.33832 725.0 0.001379 684.56024 742.45599 734.0 0.001362 684.50525 728.81238 721.0 0.001387 684.44977 717.17474 685.0 0.001460 684.39386 707.89948 677.0 0.001477 684.33746 701.35339 689.0 0.001451 684.28064 696.92029 661.0 0.001513 684.22339 693.99567 650.0 0.001538 684.16559 692.21954 642.0 0.001558 684.10742 690.95355 665.0 0.001504 684.04877 690.10425 696.0 0.001437 683.98956 689.54028 716.0 0.001397 683.92993 689.19678 681.0 0.001468 683.86987 689.05280 679.0 0.001473 683.80933 689.11060 714.0 0.001401 683.74829 689.37775 720.0 0.001389 683.68677 689.84698 693.0 0.001443 683.62476 690.44653 681.0 0.001468 683.56232 691.16248 685.0 0.001460 683.49945 692.08752 686.0 0.001458 683.43597 693.67035 703.0 0.001422 683.37207 696.55646 728.0 0.001374 683.30768 701.24646 715.0 0.001399 683.24280 707.99585 733.0 0.001364 683.17743 716.22235 734.0 0.001362 683.11151 723.66718 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680.97913 693.32611 730.0 0.001370 680.89771 692.08087 745.0 0.001342 680.81561 692.19830 732.0 0.001366 680.73303 693.61169 699.0 0.001431 680.64990 696.72839 707.0 0.001414 680.56616 702.23102 739.0 0.001353 680.48193 710.75073 733.0 0.001364 680.39709 722.46478 755.0 0.001325 680.31177 736.17822 773.0 0.001294 680.22577 747.91156 764.0 0.001309 680.13922 751.38953 744.0 0.001344 680.05219 744.26276 714.0 0.001401 679.96454 731.22754 688.0 0.001453 679.87634 717.99561 687.0 0.001456 679.78754 707.39703 710.0 0.001408 679.69818 700.03552 690.0 0.001449 679.60822 695.51227 687.0 0.001456 679.51764 693.15344 703.0 0.001422 679.42651 692.39636 711.0 0.001406 679.33484 692.92450 706.0 0.001416 679.24255 694.61249 700.0 0.001429 679.14966 697.38654 708.0 0.001412 679.05615 700.98071 702.0 0.001425 678.96210 704.72894 710.0 0.001408 678.86755 708.02081 763.0 0.001311 678.77228 711.57867 785.0 0.001274 678.67639 717.17993 757.0 0.001321 678.57996 725.94617 743.0 0.001346 678.48285 737.03131 753.0 0.001328 678.38525 746.90283 765.0 0.001307 678.28693 749.60657 744.0 0.001344 678.18805 743.04279 712.0 0.001404 678.08856 731.70789 705.0 0.001418 677.98846 721.12183 712.0 0.001404 677.88776 714.21729 722.0 0.001385 677.78644 711.75055 705.0 0.001418 677.68451 713.13666 686.0 0.001458 677.58191 716.65027 698.0 0.001433 677.47870 719.17584 710.0 0.001408 677.37488 717.48212 708.0 0.001412 677.27039 711.49194 708.0 0.001412 677.16534 703.89661 698.0 0.001433 677.05957 696.97516 695.0 0.001439 676.95319 691.63397 705.0 0.001418 676.84619 687.88586 700.0 0.001429 676.73853 685.43188 709.0 0.001410 676.63031 683.88318 676.0 0.001479 676.52142 682.92023 666.0 0.001502 676.41187 682.33539 694.0 0.001441 676.30164 682.03253 682.0 0.001466 676.19073 681.99591 678.0 0.001475 676.07922 682.23859 702.0 0.001425 675.96704 683.03735 700.0 0.001429 675.85425 684.60614 698.0 0.001433 675.74072 687.29724 716.0 0.001397 675.62653 691.38800 712.0 0.001404 675.51172 696.90509 724.0 0.001381 675.39630 703.15796 761.0 0.001314 675.28009 708.14258 739.0 0.001353 675.16333 709.05963 702.0 0.001425 675.04584 705.22638 727.0 0.001376 674.92767 698.93219 727.0 0.001376 674.80878 692.65228 698.0 0.001433 674.68921 687.54620 674.0 0.001484 674.56909 683.82037 660.0 0.001515 674.44818 681.25348 658.0 0.001520 674.32660 679.37262 657.0 0.001522 674.20428 678.18134 670.0 0.001493 674.08130 677.33038 654.0 0.001529 673.95770 676.69043 673.0 0.001486 673.83344 676.18512 708.0 0.001412 673.70837 675.76923 677.0 0.001477 673.58258 675.41931 633.0 0.001580 673.45612 675.11121 643.0 0.001555 673.32898 674.83624 670.0 0.001493 673.20117 674.58716 665.0 0.001504 673.07257 674.35785 657.0 0.001522 672.94330 674.14514 674.0 0.001484 672.81323 673.94580 674.0 0.001484 672.68250 673.75830 650.0 0.001538 672.55115 673.55334 665.0 0.001504 672.41895 673.38660 691.0 0.001447 672.28619 673.22900 680.0 0.001471 672.15253 673.08038 661.0 0.001513 672.01819 672.94141 631.0 0.001585 671.88312 672.81421 648.0 0.001543 671.74725 672.56525 689.0 0.001451 671.61084 672.47522 681.0 0.001468 671.47351 672.40918 682.0 0.001466 671.33551 672.37634 680.0 0.001471 671.19672 672.39044 664.0 0.001506 671.05719 672.47083 670.0 0.001493 670.91705 672.64801 698.0 0.001433 670.77600 672.97980 690.0 0.001449 670.63434 673.53522 670.0 0.001493 670.49182 674.27893 703.0 0.001422 670.34851 675.31165 696.0 0.001437 670.20447 676.40839 672.0 0.001488 670.05963 677.31586 680.0 0.001471 669.91418 677.61859 685.0 0.001460 669.76782 676.99231 676.0 0.001479 669.62073 675.67157 641.0 0.001560 669.47284 674.19702 660.0 0.001515 669.32416 672.94061 679.0 0.001473 669.17487 672.04584 639.0 0.001565 669.02466 671.53546 635.0 0.001575 668.87378 671.38861 660.0 0.001515 668.72198 671.56610 666.0 0.001502 668.56940 672.00269 667.0 0.001499 668.41602 672.55615 650.0 0.001538 668.26190 672.93628 656.0 0.001524 668.10706 672.79810 679.0 0.001473 667.95129 672.10040 667.0 0.001499 667.79474 671.12549 658.0 0.001520 667.63739 670.17279 665.0 0.001504 667.47925 669.31055 673.0 0.001486 667.32043 668.70587 676.0 0.001479 667.16064 668.26215 678.0 0.001475 667.00018 667.93958 655.0 0.001527 666.83875 667.70398 663.0 0.001508 666.67657 667.53723 702.0 0.001425 666.51349 667.43756 700.0 0.001429 666.34961 667.41937 678.0 0.001475 666.18506 667.50653 657.0 0.001522 666.01953 667.72284 666.0 0.001502 665.85321 668.07227 664.0 0.001506 665.68604 668.50830 635.0 0.001575 665.51813 668.93994 621.0 0.001610 665.34930 669.23132 650.0 0.001538 665.17969 669.17926 656.0 0.001524 665.00916 668.67072 638.0 0.001567 664.83777 667.86621 644.0 0.001553 664.66553 667.02631 676.0 0.001479 664.49243 666.31244 683.0 0.001464 664.31860 665.78290 666.0 0.001502 664.14380 665.44373 659.0 0.001517 663.96814 665.28314 646.0 0.001548 663.79163 665.28241 641.0 0.001560 663.61426 665.40869 662.0 0.001511 663.43610 665.59052 689.0 0.001451 663.25696 665.68164 660.0 0.001515 663.07709 665.51178 643.0 0.001555 662.89624 665.05786 661.0 0.001513 662.71448 664.45532 664.0 0.001506 662.53180 663.85590 667.0 0.001499 662.34827 663.33228 662.0 0.001511 662.16400 662.90070 645.0 0.001550 661.97870 662.54938 655.0 0.001527 661.79248 662.25696 665.0 0.001504 661.60541 662.00427 654.0 0.001529 661.41754 661.77643 669.0 0.001495 661.22870 661.56476 689.0 0.001451 661.03888 661.36493 679.0 0.001473 660.84833 661.17334 680.0 0.001471 660.65674 660.99512 _pd_meas_number_of_points 6184 _pd_proc_number_of_points 6184 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 2 0 0 1 o 87.005 799.843 180.00 7.05595 2.21 2 0 0 2 o 478.175 799.843 180.00 7.05595 1.69 1 1 0 1 o 817.812 52.141 180.00 5.28487 2.05 1 1 0 2 o 633.998 52.141 180.00 5.28487 0.82 1 1 1 1 o 4172.766 2632.156 0.00 3.64478 8.63 1 1 1 2 o 3427.607 2632.156 0.00 3.64478 3.66 3 1 0 1 o 37672.26 35342.50 0.00 3.62796 39.47 3 1 0 2 o 35666.88 35342.50 0.00 3.62796 18.54 4 0 0 1 o 12007.946 8392.328 180.00 3.52797 10.68 4 0 0 2 o 12107.869 8392.328 180.00 3.52797 5.35 2 1 1 1 o 536.886 33.817 0.00 3.32705 0.75 2 1 1 2 o 3376.801 33.817 0.00 3.32705 2.36 3 1 1 1 o 89736.33 88088.06 180.00 2.94312 100.00 3 1 1 2 o 84123.88 88088.06 180.00 2.94312 46.49 0 2 0 1 o 30048.162 27537.482 180.00 2.84982 10.77 0 2 0 2 o 28820.922 27537.482 180.00 2.84982 5.13 2 2 0 1 o 540.936 1440.963 0.00 2.64244 0.47 2 2 0 2 o 754.384 1440.963 0.00 2.64244 0.30 4 1 1 1 o -0.062 0.010 180.00 2.57686 0.00 4 1 1 2 o -0.062 0.010 180.00 2.57686 0.00 5 1 0 1 o 23.758 26.986 0.00 2.52927 0.00 5 1 0 2 o 61.418 26.986 0.00 2.52927 0.01 0 0 2 1 o 59212.75 69068.04 180.00 2.51666 13.11 0 0 2 2 o 51908.06 69068.04 180.00 2.51666 5.65 0 2 1 1 o 35952.84 39168.07 180.00 2.47991 15.88 1 0 2 1 o 49.231 54.766 180.00 2.47757 0.02 0 2 1 2 o 33150.238 39168.07 180.00 2.47991 7.22 1 0 2 2 o 43.190 54.766 180.00 2.47757 0.01 1 2 1 1 o 157.058 8.071 180.00 2.44249 0.15 1 2 1 2 o 0.026 8.071 180.00 2.44249 0.00 2 0 2 1 o -471.139 521.262 0.00 2.37040 0.00 2 0 2 2 o 184.253 521.262 0.00 2.37040 0.13 6 0 0 1 o 46034.41 38621.40 0.00 2.35198 15.33 6 0 0 2 o 42831.55 38621.40 0.00 2.35198 7.05 2 2 1 1 o 17.216 26.794 0.00 2.33962 0.14 2 2 1 2 o 88.447 26.794 0.00 2.33962 0.10 1 1 2 1 o 48.969 463.233 0.00 2.27218 0.21 1 1 2 2 o 117.689 463.233 0.00 2.27218 0.13 5 1 1 1 o -137.906 33.972 0.00 2.25998 0.00 5 1 1 2 o -137.906 33.972 0.00 2.25998 0.00 3 0 2 1 o 9393.988 8580.366 0.00 2.21904 3.23 4 2 0 1 o 5400.354 5144.932 0.00 2.21690 2.35 3 0 2 2 o 8985.571 8580.366 0.00 2.21904 1.54 4 2 0 2 o 4444.082 5144.932 0.00 2.21690 0.98 3 2 1 1 o 11339.353 8135.781 180.00 2.19372 8.09 2 1 2 1 o 11.770 9.269 0.00 2.18867 0.01 3 2 1 2 o 10136.625 8135.781 180.00 2.19372 3.60 2 1 2 2 o 0.035 9.269 0.00 2.18867 0.00 3 1 2 1 o 16596.840 15341.615 180.00 2.06785 8.83 3 1 2 2 o 15166.083 15341.615 180.00 2.06785 3.99 4 0 2 1 o 5187.321 5875.934 0.00 2.04880 1.90 4 0 2 2 o 5665.597 5875.934 0.00 2.04880 1.01 4 2 1 1 o 1532.045 1689.742 0.00 2.02883 1.35 4 2 1 2 o 352.023 1689.742 0.00 2.02883 0.31 6 1 1 1 o 272.602 423.708 180.00 1.99591 0.21 6 1 1 2 o -8.086 423.708 180.00 1.99591 0.00 4 1 2 1 o 987.315 38.394 180.00 1.92802 0.49 4 1 2 2 o 210.317 38.394 180.00 1.92802 0.05 7 1 0 1 o 2444.804 881.461 180.00 1.90060 1.15 7 1 0 2 o 935.882 881.461 180.00 1.90060 0.26 0 2 2 1 o 33347.020 31334.143 0.00 1.88639 8.21 1 3 0 1 o 2577.582 3485.976 0.00 1.88289 1.20 0 2 2 2 o 26853.686 31334.143 0.00 1.88639 3.26 5 0 2 1 o 27.464 36.251 0.00 1.87837 0.01 1 3 0 2 o 2320.550 3485.976 0.00 1.88289 0.55 5 0 2 2 o 68.333 36.251 0.00 1.87837 0.01 1 2 2 1 o 42.522 14.464 0.00 1.86976 0.02 1 2 2 2 o 20.376 14.464 0.00 1.86976 0.00 5 2 1 1 o 66.608 28.417 0.00 1.86294 0.04 5 2 1 2 o 278.993 28.417 0.00 1.86294 0.07 2 2 2 1 o 1294.019 1038.173 180.00 1.82239 0.69 2 2 2 2 o 1052.215 1038.173 180.00 1.82239 0.29 6 2 0 1 o 28809.242 30936.121 180.00 1.81398 8.18 6 2 0 2 o 28013.510 30936.121 180.00 1.81398 3.95 5 1 2 1 o 333.999 374.542 180.00 1.78399 0.08 5 1 2 2 o 319.305 374.542 180.00 1.78399 0.04 7 1 1 1 o 5637.875 8309.790 0.00 1.77806 4.39 7 1 1 2 o 5290.632 8309.790 0.00 1.77806 2.08 8 0 0 1 o 811.744 829.650 0.00 1.76399 0.09 1 3 1 1 o 1906.939 1929.928 180.00 1.76354 0.95 3 3 0 1 o 72737.94 68082.44 180.00 1.76162 18.50 8 0 0 2 o 838.708 829.650 0.00 1.76399 0.05 1 3 1 2 o 1957.911 1929.928 180.00 1.76354 0.49 3 3 0 2 o 73528.95 68082.44 180.00 1.76162 9.31 3 2 2 1 o 326.915 324.169 0.00 1.75086 0.14 3 2 2 2 o 659.146 324.169 0.00 1.75086 0.14 2 3 1 1 o 85.077 80.150 180.00 1.72362 0.04 2 3 1 2 o 59.581 80.150 180.00 1.72362 0.02 6 0 2 1 o 88380.34 85118.30 180.00 1.71837 19.21 6 0 2 2 o 82584.79 85118.30 180.00 1.71837 8.90 6 2 1 1 o 51809.90 56656.63 180.00 1.70654 23.04 6 2 1 2 o 48568.19 56656.63 180.00 1.70654 10.70 4 2 2 1 o 5196.197 3550.821 180.00 1.66352 2.06 3 3 1 1 o 3596.668 2421.254 0.00 1.66273 1.67 4 2 2 2 o 4287.166 3550.821 180.00 1.66352 0.86 3 3 1 2 o 2702.573 2421.254 0.00 1.66273 0.63 6 1 2 1 o 410.451 351.332 0.00 1.64523 0.17 6 1 2 2 o 1027.684 351.332 0.00 1.64523 0.21 1 1 3 1 o 3903.872 2474.488 180.00 1.59912 1.73 8 1 1 1 o 68.598 32.112 0.00 1.59795 0.04 1 1 3 2 o 2537.048 2474.488 180.00 1.59912 0.60 8 1 1 2 o 48.809 32.112 0.00 1.59795 0.01 4 3 1 1 o 52.541 8.718 180.00 1.58739 0.02 4 3 1 2 o -0.310 8.718 180.00 1.58739 0.00 5 3 0 1 o 280.386 80.053 180.00 1.57607 0.04 7 0 2 1 o 754.539 126.994 180.00 1.57341 0.15 5 3 0 2 o 75.973 80.053 180.00 1.57607 0.00 7 0 2 2 o 89.831 126.994 180.00 1.57341 0.01 2 1 3 1 o 283.718 332.995 180.00 1.56919 0.10 5 2 2 1 o 5.358 21.166 180.00 1.56834 0.00 2 1 3 2 o -3.281 332.995 180.00 1.56919 0.00 5 2 2 2 o 0.033 21.166 180.00 1.56834 0.00 7 2 1 1 o -0.129 1.076 0.00 1.56431 0.00 7 2 1 2 o 211.917 1.076 0.00 1.56431 0.04 3 1 3 1 o 58914.79 47125.34 0.00 1.52282 18.35 3 1 3 2 o 56246.83 47125.34 0.00 1.52282 8.70 7 1 2 1 o 677.827 521.382 0.00 1.51668 0.32 7 1 2 2 o 899.453 521.382 0.00 1.51668 0.20 9 1 0 1 o 7829.206 4892.175 0.00 1.51182 2.03 9 1 0 2 o 7510.489 4892.175 0.00 1.51182 0.96 1 3 2 1 o 2963.748 1695.045 180.00 1.50764 1.23 5 3 1 1 o 784.422 654.454 180.00 1.50406 0.25 1 3 2 2 o 2324.263 1695.045 180.00 1.50764 0.50 5 3 1 2 o 3284.380 654.454 180.00 1.50406 0.56 8 2 0 1 o 8.109 5.620 180.00 1.49990 0.00 8 2 0 2 o 26.953 5.620 180.00 1.49990 0.00 2 3 2 1 o 464.216 6.291 0.00 1.48247 0.15 2 3 2 2 o 150.251 6.291 0.00 1.48247 0.02 6 2 2 1 o 20819.414 15078.860 0.00 1.47156 6.15 6 2 2 2 o 18549.123 15078.860 0.00 1.47156 2.72 4 1 3 1 o 6.098 2.610 0.00 1.46431 0.00 4 1 3 2 o -0.119 2.610 0.00 1.46431 0.00 9 1 1 1 o 34326.977 40047.38 180.00 1.44792 14.83 0 2 3 1 o 52595.08 57682.32 0.00 1.44582 7.44 8 0 2 1 o 436.643 463.586 180.00 1.44449 0.03 9 1 1 2 o 35537.47 40047.38 180.00 1.44792 7.66 3 3 2 1 o 44315.35 45783.17 0.00 1.44319 12.47 0 2 3 2 o 54906.07 57682.32 0.00 1.44582 3.87 8 0 2 2 o 452.355 463.586 180.00 1.44449 0.02 3 3 2 2 o 45832.29 45783.17 0.00 1.44319 6.43 1 2 3 1 o 96.062 95.739 0.00 1.43829 0.03 8 2 1 1 o 443.071 451.341 180.00 1.43744 0.08 1 2 3 2 o 168.578 95.739 0.00 1.43829 0.02 8 2 1 2 o 499.231 451.341 180.00 1.43744 0.05 0 4 0 1 o 13247.176 13018.847 180.00 1.42491 1.19 0 4 0 2 o 6862.113 13018.847 180.00 1.42491 0.28 6 3 1 1 o 9.442 310.821 180.00 1.41807 0.01 2 2 3 1 o -207.531 157.770 180.00 1.41639 0.00 6 3 1 2 o 355.007 310.821 180.00 1.41807 0.06 2 2 3 2 o 412.724 157.770 180.00 1.41639 0.09 10 0 0 1 o 10802.297 7781.906 180.00 1.41119 1.59 10 0 0 2 o 14661.904 7781.906 180.00 1.41119 1.04 8 1 2 1 o 0.808 0.825 0.00 1.40022 0.00 5 1 3 1 o -109.110 41.318 180.00 1.39813 0.00 8 1 2 2 o 2.428 0.825 0.00 1.40022 0.00 2 4 0 1 o 939.627 433.057 180.00 1.39672 0.14 5 1 3 2 o -35.559 41.318 180.00 1.39813 0.01 2 4 0 2 o 176.809 433.057 180.00 1.39672 0.00 4 3 2 1 o -3.113 192.856 0.00 1.39309 0.00 4 3 2 2 o -3.113 192.856 0.00 1.39309 0.00 7 3 0 1 o 7613.857 4522.120 0.00 1.38264 1.37 3 2 3 1 o 4.297 2.904 0.00 1.38201 0.00 7 3 0 2 o 7929.027 4522.120 0.00 1.38264 0.71 3 2 3 2 o 6.008 2.904 0.00 1.38201 0.00 7 2 2 1 o 20.860 20.341 0.00 1.37742 0.01 7 2 2 2 o 11.300 20.341 0.00 1.37742 0.00 0 4 1 1 o 38478.02 45144.09 0.00 1.37103 6.21 0 4 1 2 o 40583.33 45144.09 0.00 1.37103 3.27 1 4 1 1 o -0.138 18.206 0.00 1.36461 0.00 1 4 1 2 o 27.961 18.206 0.00 1.36461 0.00 2 4 1 1 o 1523.482 1435.218 180.00 1.34586 0.61 2 4 1 2 o 346.001 1435.218 180.00 1.34586 0.12 4 2 3 1 o 2108.637 1627.435 180.00 1.33783 0.64 5 3 2 1 o -98.963 15.805 180.00 1.33575 0.00 4 2 3 2 o 611.708 1627.435 180.00 1.33783 0.14 7 3 1 1 o 1050.640 1666.621 180.00 1.33326 0.27 5 3 2 2 o -25.795 15.805 180.00 1.33575 0.01 9 0 2 1 o 2494.365 1909.310 180.00 1.33082 0.42 7 3 1 2 o 2078.932 1666.621 180.00 1.33326 0.28 6 1 3 1 o 36.535 10.203 0.00 1.32826 0.01 9 0 2 2 o 4207.389 1909.310 180.00 1.33082 0.35 9 2 1 1 o 1175.146 1466.229 0.00 1.32530 0.41 6 1 3 2 o 3.308 10.203 0.00 1.32826 0.00 9 2 1 2 o 1728.480 1466.229 0.00 1.32530 0.30 10 1 1 1 o 10.341 12.102 180.00 1.32175 0.00 4 4 0 1 o 185.013 176.289 180.00 1.32122 0.01 10 1 1 2 o 78.757 12.102 180.00 1.32175 0.02 4 4 0 2 o 318.797 176.289 180.00 1.32122 0.02 3 4 1 1 o 375.852 507.525 180.00 1.31626 0.12 3 4 1 2 o 3459.420 507.525 180.00 1.31626 0.52 9 1 2 1 o 7566.052 9251.046 180.00 1.29596 2.10 9 1 2 2 o 7364.082 9251.046 180.00 1.29596 1.02 8 2 2 1 o 70.859 8.255 180.00 1.28843 0.02 5 2 3 1 o -0.298 72.911 180.00 1.28680 0.00 8 2 2 2 o 203.570 8.255 180.00 1.28843 0.03 5 2 3 2 o 203.120 72.911 180.00 1.28680 0.02 4 4 1 1 o 4283.419 4956.959 180.00 1.27792 1.36 4 4 1 2 o 3842.781 4956.959 180.00 1.27792 0.62 6 3 2 1 o 22.688 29.242 180.00 1.27442 0.01 6 3 2 2 o -1.342 29.242 180.00 1.27442 0.00 10 2 0 1 o 1286.915 4505.731 0.00 1.26463 0.28 10 2 0 2 o 3641.066 4505.731 0.00 1.26463 0.34 0 0 4 1 o 29432.850 29407.053 0.00 1.25833 1.71 7 1 3 1 o 4330.806 4668.187 180.00 1.25780 1.15 0 0 4 2 o 24670.670 29407.053 0.00 1.25833 0.70 7 1 3 2 o 3244.363 4668.187 180.00 1.25780 0.45 1 0 4 1 o 34.718 84.018 0.00 1.25336 0.00 1 3 3 1 o 403.198 1136.037 0.00 1.25263 0.07 8 3 1 1 o 34.220 39.109 0.00 1.25207 0.01 11 1 0 1 o 787.529 669.035 0.00 1.25159 0.12 1 0 4 2 o 0.287 84.018 0.00 1.25336 0.00 1 3 3 2 o 78.323 1136.037 0.00 1.25263 0.00 8 3 1 2 o -1.527 39.109 0.00 1.25207 0.00 11 1 0 2 o 165.457 669.035 0.00 1.25159 0.00 0 4 2 1 o 977.419 969.761 0.00 1.23996 0.09 2 0 4 1 o 59.363 589.466 180.00 1.23879 0.05 2 3 3 1 o 16.805 27.964 180.00 1.23808 0.00 0 4 2 2 o 256.817 969.761 0.00 1.23996 0.00 2 0 4 2 o -347.976 589.466 180.00 1.23879 0.00 1 4 2 1 o 0.002 0.119 0.00 1.23520 0.00 2 3 3 2 o -1.531 27.964 180.00 1.23808 0.00 5 4 1 1 o 33.574 18.711 180.00 1.23323 0.01 1 4 2 2 o 0.152 0.119 0.00 1.23520 0.00 6 2 3 1 o 13127.323 11012.297 0.00 1.23171 2.48 10 0 2 1 o 6764.525 7341.242 0.00 1.23088 1.20 5 4 1 2 o 15.677 18.711 180.00 1.23323 0.00 6 2 3 2 o 11597.583 11012.297 0.00 1.23171 1.07 10 0 2 2 o 7639.381 7341.242 0.00 1.23088 0.66 10 2 1 1 o 3751.798 3972.945 0.00 1.22651 1.40 1 1 4 1 o 56.147 30.714 180.00 1.22411 0.02 10 2 1 2 o 3734.646 3972.945 0.00 1.22651 0.70 2 4 2 1 o 722.924 377.194 0.00 1.22124 0.14 1 1 4 2 o 107.988 30.714 180.00 1.22411 0.02 6 4 0 1 o 59.331 125.081 180.00 1.21870 0.00 2 4 2 2 o 148.346 377.194 0.00 1.22124 0.00 6 4 0 2 o 130.382 125.081 180.00 1.21870 0.00 3 0 4 1 o 1791.539 1667.563 0.00 1.21559 0.21 3 3 3 1 o 766.257 672.044 180.00 1.21493 0.17 11 1 1 1 o 823.976 788.288 180.00 1.21460 0.20 3 0 4 2 o 1467.611 1667.563 0.00 1.21559 0.09 3 3 3 2 o 575.820 672.044 180.00 1.21493 0.07 7 3 2 1 o 4365.007 5080.391 180.00 1.21180 1.16 11 1 1 2 o 756.053 788.288 180.00 1.21460 0.09 2 1 4 1 o 3.451 2.703 0.00 1.21052 0.00 9 3 0 1 o 24478.398 25537.260 180.00 1.20932 3.06 7 3 2 2 o 4726.251 5080.391 180.00 1.21180 0.62 2 1 4 2 o 4.010 2.703 0.00 1.21052 0.00 9 3 0 2 o 30373.082 25537.260 180.00 1.20932 1.92 9 2 2 1 o 58.506 44.464 180.00 1.20582 0.02 10 1 2 1 o 0.090 0.009 0.00 1.20315 0.00 9 2 2 2 o 148.686 44.464 180.00 1.20582 0.02 10 1 2 2 o 0.048 0.009 0.00 1.20315 0.00 3 4 2 1 o 1433.455 1135.157 180.00 1.19900 0.34 3 4 2 2 o 1673.007 1135.157 180.00 1.19900 0.20 8 1 3 1 o 14.318 11.194 180.00 1.18896 0.00 3 1 4 1 o 7443.704 6075.611 0.00 1.18885 1.49 8 1 3 2 o 10.351 11.194 180.00 1.18896 0.00 3 1 4 2 o 5719.528 6075.611 0.00 1.18885 0.56 4 0 4 1 o 3023.697 2952.879 180.00 1.18520 0.39 4 3 3 1 o 75.105 72.001 180.00 1.18459 0.02 6 4 1 1 o 25619.605 24600.139 0.00 1.18448 5.69 4 0 4 2 o 3519.272 2952.879 180.00 1.18520 0.22 4 3 3 2 o 80.628 72.001 180.00 1.18459 0.01 6 4 1 2 o 27318.033 24600.139 0.00 1.18448 3.03 12 0 0 1 o 63459.75 38009.78 0.00 1.17599 5.92 9 3 1 1 o 643.906 371.401 0.00 1.17586 0.17 7 2 3 1 o 1.362 0.679 0.00 1.17490 0.00 12 0 0 2 o 59099.50 38009.78 0.00 1.17599 2.74 9 3 1 2 o 585.900 371.401 0.00 1.17586 0.08 7 2 3 2 o 1.069 0.679 0.00 1.17490 0.00 4 4 2 1 o 219.612 107.475 0.00 1.16981 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