data_K5CA3V5O18_publ _pd_block_id 2012-05-24T12:12|K5CA3V5O18|Tyutyunnik|Overall _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2012-05-24T12:12 _audit_author_name Tyutyunnik _audit_update_record ; 2012-05-24T12:12 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 'ATOMS V6.3.4 ((c) 2008 by Shape Software)' _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 570 _pd_char_colour white # use ICDD colour descriptions data_K5CA3V5O18_overall _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 103 _refine_ls_goodness_of_fit_all 1.65 _refine_ls_number_restraints 0 _refine_ls_matrix_type full # pointers to the phase blocks loop_ _pd_phase_block_id 2012-05-24T12:12|K5CA3V5O18_phase1|Tyutyunnik|| 2012-05-24T12:12|K5CA3V5O18_phase2|Tyutyunnik|| 2012-05-24T12:12|K5CA3V5O18_phase3|Tyutyunnik|| # pointers to the diffraction patterns loop_ _pd_block_diffractogram_id 2012-05-24T12:12|K5CA3V5O18_H_01|Tyutyunnik|STADI-P # Information for phase 1 data_K5CA3V5O18_phase_1 _diffrn_ambient_temperature 298(2) _diffrn_radiation_wavelength 1.54056 _pd_block_id 2012-05-24T12:12|K5CA3V5O18_phase1|Tyutyunnik|| # Histograms for phase 1 loop_ _pd_block_diffractogram_id 2012-05-24T12:12|K5CA3V5O18_H_01|Tyutyunnik|STADI-P #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic "Bipotassium Calcium Bivanadate" _chemical_name_common 'Potassium Calcium Vanadium Oxide' _chemical_formula_moiety ? _chemical_formula_structural 'K2 Ca V2 O7' _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall '-P 1' _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn 2.837 _exptl_crystal_density_meas ? _exptl_crystal_density_method "not measured" _cell_measurement_temperature 298 _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution "GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)" #============================================================================== # 8. Phase information from GSAS _pd_phase_name "from C:/gsas/MyWork/Samigullina/K5Ca3V5O18/ K5Ca3V5O18.cel" _cell_length_a 7.15767(12) _cell_length_b 10.51041(17) _cell_length_c 5.81873(10) _cell_angle_alpha 106.3367(9) _cell_angle_beta 106.2350(11) _cell_angle_gamma 71.1375(9) _cell_volume 388.839(12) _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M "P -1" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z -1 -x,-y,-z # 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 V V1 0.2825(5) 0.3941(4) 0.7745(7) 1.0 Uiso 0.0180(31) 2 V V2 0.7003(5) 0.1405(4) 0.9426(6) 1.0 Uiso 0.0174(30) 2 Ca Ca 0.7258(7) 0.3602(5) 0.5796(8) 1.0 Uiso 0.0162(31) 2 K K1 0.2223(7) 0.0493(5) 0.6292(9) 1.0 Uiso 0.0333(30) 2 K K2 -0.1163(6) 0.7120(4) 0.8416(8) 1.0 Uiso 0.0221(30) 2 O O1 0.0721(16) 0.3513(11) 0.6291(19) 1.0 Uiso 0.012(5) 2 O O2 0.2505(16) 0.5299(12) -0.0032(20) 1.0 Uiso 0.020(5) 2 O O3 0.8021(16) 0.1800(9) 0.2529(19) 1.0 Uiso 0.019(5) 2 O O4 0.3652(19) 0.4362(15) 0.5391(20) 1.0 Uiso 0.032(5) 2 O O5 0.7049(16) -0.0238(12) 0.8535(18) 1.0 Uiso 0.021(4) 2 O O6 0.8262(19) 0.1732(12) 0.7537(22) 1.0 Uiso 0.033(5) 2 O O7 0.4416(17) 0.2441(12) 0.8667(18) 1.0 Uiso 0.023(5) 2 loop_ _atom_type_symbol _atom_type_number_in_cell V 4.0 Ca 2.0 K 4.0 O 14.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Ca K2 O7 V2" _chemical_formula_weight 332.16 _cell_formula_units_Z 2 # 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 V1 O1 1.642(11) . 1_555 N V1 O2 1.637(10) . 1_556 N V1 O4 1.840(11) . 1_555 N V1 O7 1.744(12) . 1_555 N V2 O3 1.733(10) . 1_556 N V2 O5 1.649(12) . 1_555 N V2 O6 1.762(13) . 1_555 N V2 O7 1.822(12) . 1_555 N Ca O1 2.388(12) . 1_655 N Ca O2 2.393(12) . -1_666 N Ca O3 2.321(11) . 1_555 N Ca O4 2.406(12) . 1_555 N Ca O4 2.271(16) . -1_666 N Ca O6 2.282(14) . 1_555 N K1 O1 3.005(11) . 1_555 N K1 O3 3.327(11) . 1_455 N K1 O3 2.753(10) . -1_656 N K1 O5 3.248(11) . 1_555 N K1 O5 2.922(10) . -1_656 N K1 O5 2.982(11) . -1_657 N K1 O6 2.914(14) . 1_455 N K1 O6 2.778(12) . -1_656 N K1 O7 2.800(11) . 1_555 N K2 O1 2.714(10) . -1_566 N K2 O1 3.241(10) . -1_567 N K2 O2 2.787(13) . 1_556 N K2 O2 3.421(10) . -1_566 N K2 O3 3.056(11) . -1_666 N K2 O4 2.856(11) . -1_566 N K2 O5 2.645(12) . 1_465 N K2 O6 2.932(13) . -1_667 N K2 O7 3.097(10) . -1_567 N O1 V1 1.642(11) . 1_555 N O1 Ca 2.388(12) . 1_455 N O1 K1 3.005(11) . 1_555 N O1 K2 2.714(10) . -1_566 N O1 K2 3.241(10) . -1_567 N O2 V1 1.637(10) . 1_554 N O2 Ca 2.393(12) . -1_666 N O2 K2 2.787(13) . 1_554 N O2 K2 3.421(10) . -1_566 N O3 V2 1.733(10) . 1_554 N O3 Ca 2.321(11) . 1_555 N O3 K1 3.327(11) . 1_655 N O3 K1 2.753(10) . -1_656 N O3 K2 3.056(11) . -1_666 N O4 V1 1.840(11) . 1_555 N O4 Ca 2.406(12) . 1_555 N O4 Ca 2.271(16) . -1_666 N O4 K2 2.856(11) . -1_566 N O5 V2 1.649(12) . 1_555 N O5 K1 3.248(11) . 1_555 N O5 K1 2.922(10) . -1_656 N O5 K1 2.982(11) . -1_657 N O5 K2 2.645(12) . 1_645 N O6 V2 1.762(13) . 1_555 N O6 Ca 2.282(14) . 1_555 N O6 K1 2.914(14) . 1_655 N O6 K1 2.778(12) . -1_656 N O6 K2 2.932(13) . -1_667 N O7 V1 1.744(12) . 1_555 N O7 V2 1.822(12) . 1_555 N O7 K1 2.800(11) . 1_555 N O7 K2 3.097(10) . -1_567 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 O1 V1 O2 113.2(5) 1_555 . 1_556 N O1 V1 O4 104.1(5) 1_555 . 1_555 N O1 V1 O7 103.5(5) 1_555 . 1_555 N O2 V1 O4 108.4(5) 1_556 . 1_555 N O2 V1 O7 114.7(5) 1_556 . 1_555 N O4 V1 O7 112.4(5) 1_555 . 1_555 N O3 V2 O5 110.6(5) 1_556 . 1_555 N O3 V2 O6 114.4(5) 1_556 . 1_555 N O3 V2 O7 111.6(5) 1_556 . 1_555 N O5 V2 O6 106.7(6) 1_555 . 1_555 N O5 V2 O7 109.2(5) 1_555 . 1_555 N O6 V2 O7 104.0(5) 1_555 . 1_555 N O1 Ca O2 88.1(4) 1_655 . -1_666 N O1 Ca O3 81.4(4) 1_655 . 1_555 N O1 Ca O4 164.0(5) 1_655 . 1_555 N O1 Ca O4 89.4(4) 1_655 . -1_666 N O1 Ca O6 89.1(5) 1_655 . 1_555 N O2 Ca O3 155.0(4) -1_666 . 1_555 N O2 Ca O4 87.0(4) -1_666 . 1_555 N O2 Ca O4 92.6(4) -1_666 . -1_666 N O2 Ca O6 79.4(5) -1_666 . 1_555 N O3 Ca O4 108.7(4) 1_555 . 1_555 N O3 Ca O4 109.8(4) 1_555 . -1_666 N O3 Ca O6 77.8(4) 1_555 . 1_555 N O4 Ca O4 75.6(5) 1_555 . -1_666 N O4 Ca O6 105.0(5) 1_555 . 1_555 N O4 Ca O6 171.9(5) -1_666 . 1_555 N O1 K1 O3 150.69(33) 1_555 . -1_656 N O1 K1 O5 108.60(32) 1_555 . 1_555 N O1 K1 O5 84.23(32) 1_555 . -1_656 N O1 K1 O5 106.67(34) 1_555 . -1_657 N O1 K1 O6 67.22(32) 1_555 . 1_455 N O1 K1 O6 129.2(4) 1_555 . -1_656 N O1 K1 O7 54.43(32) 1_555 . 1_555 N O3 K1 O5 90.46(34) -1_656 . 1_555 N O3 K1 O5 118.6(4) -1_656 . -1_656 N O3 K1 O5 57.85(31) -1_656 . -1_657 N O3 K1 O6 84.23(32) -1_656 . 1_455 N O3 K1 O6 63.0(4) -1_656 . -1_656 N O3 K1 O7 133.4(4) -1_656 . 1_555 N O5 K1 O5 90.45(31) 1_555 . -1_656 N O5 K1 O5 71.0(4) 1_555 . -1_657 N O5 K1 O6 144.2(4) 1_555 . 1_455 N O5 K1 O6 103.99(34) 1_555 . -1_656 N O5 K1 O7 55.22(33) 1_555 . 1_555 N O5 K1 O5 160.6(5) -1_656 . -1_657 N O5 K1 O6 123.1(4) -1_656 . 1_455 N O5 K1 O6 57.36(34) -1_656 . -1_656 N O5 K1 O7 94.6(4) -1_656 . 1_555 N O5 K1 O6 76.34(34) -1_657 . 1_455 N O5 K1 O6 120.4(5) -1_657 . -1_656 N O5 K1 O7 79.8(4) -1_657 . 1_555 N O6 K1 O6 104.9(4) 1_455 . -1_656 N O6 K1 O7 105.2(4) 1_455 . 1_555 N O6 K1 O7 147.0(4) -1_656 . 1_555 N O1 K2 O1 155.3(4) -1_566 . -1_567 N O1 K2 O2 93.83(34) -1_566 . 1_556 N O1 K2 O3 64.01(35) -1_566 . -1_666 N O1 K2 O4 59.08(32) -1_566 . -1_566 N O1 K2 O5 95.74(35) -1_566 . 1_465 N O1 K2 O6 121.6(4) -1_566 . -1_667 N O1 K2 O7 139.6(4) -1_566 . -1_567 N O1 K2 O2 66.43(29) -1_567 . 1_556 N O1 K2 O3 120.87(31) -1_567 . -1_666 N O1 K2 O4 111.9(4) -1_567 . -1_566 N O1 K2 O5 108.91(32) -1_567 . 1_465 N O1 K2 O6 63.89(35) -1_567 . -1_667 N O1 K2 O7 49.58(29) -1_567 . -1_567 N O2 K2 O3 76.03(31) 1_556 . -1_666 N O2 K2 O4 109.3(4) 1_556 . -1_566 N O2 K2 O5 142.6(4) 1_556 . 1_465 N O2 K2 O6 62.96(34) 1_556 . -1_667 N O2 K2 O7 113.9(4) 1_556 . -1_567 N O3 K2 O4 123.04(35) -1_666 . -1_566 N O3 K2 O5 76.04(35) -1_666 . 1_465 N O3 K2 O6 58.71(33) -1_666 . -1_667 N O3 K2 O7 148.40(30) -1_666 . -1_567 N O4 K2 O5 106.5(4) -1_566 . 1_465 N O4 K2 O6 172.04(34) -1_566 . -1_667 N O4 K2 O7 83.42(32) -1_566 . -1_567 N O5 K2 O6 81.4(4) 1_465 . -1_667 N O5 K2 O7 80.05(34) 1_465 . -1_567 N O6 K2 O7 97.67(34) -1_667 . -1_567 N V1 O1 Ca 154.1(6) 1_555 . 1_455 N V1 O1 K1 98.1(5) 1_555 . 1_555 N V1 O1 K2 100.8(5) 1_555 . -1_566 N V1 O1 K2 80.2(4) 1_555 . -1_567 N Ca O1 K1 94.4(4) 1_455 . 1_555 N Ca O1 K2 102.2(4) 1_455 . -1_566 N Ca O1 K2 83.80(28) 1_455 . -1_567 N K1 O1 K2 88.08(30) 1_555 . -1_566 N K1 O1 K2 67.51(25) 1_555 . -1_567 N K2 O1 K2 155.3(4) -1_566 . -1_567 N V1 O2 Ca 152.6(6) 1_554 . -1_666 N V1 O2 K2 107.5(5) 1_554 . 1_554 N Ca O2 K2 94.5(4) -1_666 . 1_554 N V2 O3 Ca 136.1(5) 1_554 . 1_555 N V2 O3 K1 97.4(4) 1_554 . -1_656 N V2 O3 K2 91.6(4) 1_554 . -1_666 N Ca O3 K1 105.7(4) 1_555 . -1_656 N Ca O3 K2 94.35(34) 1_555 . -1_666 N K1 O3 K2 139.2(4) -1_656 . -1_666 N V1 O4 Ca 112.3(6) 1_555 . 1_555 N V1 O4 Ca 128.4(7) 1_555 . -1_666 N V1 O4 K2 91.1(5) 1_555 . -1_566 N Ca O4 Ca 104.4(5) 1_555 . -1_666 N Ca O4 K2 119.6(5) 1_555 . -1_566 N Ca O4 K2 101.2(5) -1_666 . -1_566 N V2 O5 K1 91.7(4) 1_555 . 1_555 N V2 O5 K1 94.1(5) 1_555 . -1_656 N V2 O5 K1 91.1(4) 1_555 . -1_657 N V2 O5 K2 152.7(6) 1_555 . 1_645 N K1 O5 K1 89.55(31) 1_555 . -1_656 N K1 O5 K1 109.0(4) 1_555 . -1_657 N K1 O5 K2 115.1(4) 1_555 . 1_645 N K1 O5 K1 160.6(5) -1_656 . -1_657 N K1 O5 K2 91.16(34) -1_656 . 1_645 N K1 O5 K2 76.03(33) -1_657 . 1_645 N V2 O6 Ca 126.2(7) 1_555 . 1_555 N V2 O6 K1 133.9(6) 1_555 . 1_655 N V2 O6 K1 96.5(5) 1_555 . -1_656 N V2 O6 K2 95.2(5) 1_555 . -1_667 N Ca O6 K1 99.3(5) 1_555 . 1_655 N Ca O6 K1 106.0(5) 1_555 . -1_656 N Ca O6 K2 93.1(4) 1_555 . -1_667 N K1 O6 K1 75.1(4) 1_655 . -1_656 N K1 O6 K2 72.97(33) 1_655 . -1_667 N K1 O6 K2 145.0(5) -1_656 . -1_667 N V1 O7 V2 146.8(6) 1_555 . 1_555 N V1 O7 K1 103.2(5) 1_555 . 1_555 N V1 O7 K2 83.4(4) 1_555 . -1_567 N V2 O7 K1 103.8(5) 1_555 . 1_555 N V2 O7 K2 123.3(5) 1_555 . -1_567 N K1 O7 K2 72.03(26) 1_555 . -1_567 N # Information for phase 2 data_K5CA3V5O18_phase_2 _diffrn_ambient_temperature 298(2) _diffrn_radiation_wavelength 1.54056 _pd_block_id 2012-05-24T12:12|K5CA3V5O18_phase2|Tyutyunnik|| # Histograms for phase 2 loop_ _pd_block_diffractogram_id 2012-05-24T12:12|K5CA3V5O18_H_01|Tyutyunnik|STADI-P #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ? _chemical_name_common 'Potassium Calcium Vanadium Oxide' _chemical_formula_moiety ? _chemical_formula_structural 'K Ca10 V7 O28' _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall 'R 3 -2"c' _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn 3.207 _exptl_crystal_density_meas ? _exptl_crystal_density_method "not measured" _cell_measurement_temperature 298 _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution "GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)" #============================================================================== # 8. Phase information from GSAS _pd_phase_name "from C:/X-ray/Samigullina/2011-02-01/Ca3(VO4)2.cel" _cell_length_a 10.8574(19) _cell_length_b 10.8574 _cell_length_c 37.870(10) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_volume 3866.2(14) _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M "R 3 c" 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,+y,+z+1/2 5 -y,-x,+z+1/2 6 +x,x-y,+z+1/2 101 +x+1/3,+y+2/3,+z+2/3 102 -y+1/3,x-y+2/3,+z+2/3 103 y-x+1/3,-x+2/3,+z+2/3 104 y-x+1/3,+y+2/3,+z+1/6 105 -y+1/3,-x+2/3,+z+1/6 106 +x+1/3,x-y+2/3,+z+1/6 201 +x+2/3,+y+1/3,+z+1/3 202 -y+2/3,x-y+1/3,+z+1/3 203 y-x+2/3,-x+1/3,+z+1/3 204 y-x+2/3,+y+1/3,+z+5/6 205 -y+2/3,-x+1/3,+z+5/6 206 +x+2/3,x-y+1/3,+z+5/6 # 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 K K 0.0 0.0 0.29711 1.0 Uiso 0.025 6 V V1 0.13277 0.31919 0.11537 1.0 Uiso 0.025 18 V V2 0.48993 0.47016 0.17908 1.0 Uiso 0.025 18 V V3 0.0 0.0 0.21225 1.0 Uiso 0.025 6 Ca Ca1 0.3333 0.6667 0.14632 1.0 Uiso 0.025 6 Ca Ca2 0.19757 0.39399 0.21639 1.0 Uiso 0.025 18 Ca Ca3 0.2655 0.14855 0.15627 1.0 Uiso 0.025 18 Ca Ca4 0.05677 0.54912 0.08044 1.0 Uiso 0.025 18 O O1 0.42619 0.58289 0.18671 1.0 Uiso 0.025 18 O O2 -0.45839 -0.36075 0.26143 1.0 Uiso 0.025 18 O O3 0.13726 0.29156 0.15976 1.0 Uiso 0.025 18 O O4 -0.01082 0.14562 0.22481 1.0 Uiso 0.025 18 O O5 0.46577 0.40918 0.13705 1.0 Uiso 0.025 18 O O6 -0.26127 -0.30206 0.10502 1.0 Uiso 0.025 18 O O7 0.66537 0.55135 0.19069 1.0 Uiso 0.025 18 O O8 0.23198 0.49538 0.10451 1.0 Uiso 0.025 18 O O9 0.0428 0.38851 0.03613 1.0 Uiso 0.025 18 O O10 0.0 0.0 0.16714 1.0 Uiso 0.025 6 loop_ _atom_type_symbol _atom_type_number_in_cell V 42.0 Ca 60.0 K 6.0 O 168.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Ca10 K O28 V7" _chemical_formula_weight 1244.46 _cell_formula_units_Z 6 # MOLECULAR GEOMETRY # Information for phase 3 data_K5CA3V5O18_phase_3 _diffrn_ambient_temperature 298(2) _diffrn_radiation_wavelength 1.54056 _pd_block_id 2012-05-24T12:12|K5CA3V5O18_phase3|Tyutyunnik|| # Histograms for phase 3 loop_ _pd_block_diffractogram_id 2012-05-24T12:12|K5CA3V5O18_H_01|Tyutyunnik|STADI-P #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ? _chemical_name_common 'Calcium Carbonate' _chemical_formula_moiety ? _chemical_formula_structural 'Ca C O3' _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall '-R 3 2"c' _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn 2.705 _exptl_crystal_density_meas ? _exptl_crystal_density_method "not measured" _cell_measurement_temperature 298 _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution "GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)" #============================================================================== # 8. Phase information from GSAS _pd_phase_name "from C:/X-ray/Samigullina/2011-02-01/CaCO3.cel" _cell_length_a 4.9915(11) _cell_length_b 4.9915 _cell_length_c 17.088(5) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_volume 368.72(15) _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M "R -3 c" 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,+y,+z+1/2 5 -y,-x,+z+1/2 6 +x,x-y,+z+1/2 -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z -4 x-y,-y,-z+1/2 -5 +y,+x,-z+1/2 -6 -x,y-x,-z+1/2 101 +x+1/3,+y+2/3,+z+2/3 102 -y+1/3,x-y+2/3,+z+2/3 103 y-x+1/3,-x+2/3,+z+2/3 104 y-x+1/3,+y+2/3,+z+1/6 105 -y+1/3,-x+2/3,+z+1/6 106 +x+1/3,x-y+2/3,+z+1/6 -101 -x+2/3,-y+1/3,-z+1/3 -102 +y+2/3,y-x+1/3,-z+1/3 -103 x-y+2/3,+x+1/3,-z+1/3 -104 x-y+2/3,-y+1/3,-z+5/6 -105 +y+2/3,+x+1/3,-z+5/6 -106 -x+2/3,y-x+1/3,-z+5/6 201 +x+2/3,+y+1/3,+z+1/3 202 -y+2/3,x-y+1/3,+z+1/3 203 y-x+2/3,-x+1/3,+z+1/3 204 y-x+2/3,+y+1/3,+z+5/6 205 -y+2/3,-x+1/3,+z+5/6 206 +x+2/3,x-y+1/3,+z+5/6 -201 -x+1/3,-y+2/3,-z+2/3 -202 +y+1/3,y-x+2/3,-z+2/3 -203 x-y+1/3,+x+2/3,-z+2/3 -204 x-y+1/3,-y+2/3,-z+1/6 -205 +y+1/3,+x+2/3,-z+1/6 -206 -x+1/3,y-x+2/3,-z+1/6 # 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 Ca Ca 0.0 0.0 0.0 1.0 Uiso 0.025 6 C C 0.0 0.0 0.25 1.0 Uiso 0.025 6 O O 0.2568 0.0 0.25 1.0 Uiso 0.025 18 loop_ _atom_type_symbol _atom_type_number_in_cell Ca 6.0 O 18.0 C 6.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "C Ca O3" _chemical_formula_weight 100.09 _cell_formula_units_Z 6 # MOLECULAR GEOMETRY # Powder diffraction data for histogram 1 data_K5CA3V5O18_p_01 _pd_block_id 2012-05-24T12:12|K5CA3V5O18_H_01|Tyutyunnik|STADI-P #============================================================================== # 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 "external Si standard" _diffrn_ambient_temperature 298 _diffrn_source 'sealed X-ray tube' _diffrn_source_target Cu _diffrn_source_type 'PHILIPS PW 2283/20' _diffrn_measurement_device_type 'transmission diffractometer Stadi-P (STOE)' _diffrn_detector 'position sensitive detector' _diffrn_detector_type 'linear mini-PSD (STOE)' # make or model of detector _pd_meas_scan_method step # 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 "STOE Powder Software Package (STOE, Germany)" _computing_data_reduction "STOE Powder Software Package (STOE, Germany)" # 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 'Primary, curved Ge 111' # 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 260 _pd_instr_dist_mono/spec 130 _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc 220 # 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 7 # perpendicular to # equatorial plane _pd_spec_size_equat 0.1 # 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. "powder on Mylar film" _pd_spec_mount_mode transmission # options are 'reflection' # or 'transmission' _pd_spec_shape flat_sheet # options are 'cylinder' # 'flat_sheet' or 'irregular' # phase table loop_ _pd_phase_id _pd_phase_block_id _pd_phase_mass_% _pd_proc_ls_profile_function _pd_proc_ls_peak_cutoff 1 2012-05-24T12:12|K5CA3V5O18_phase1|Tyutyunnik|| 92.32 ; 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) = 13.946 #2(GV) = -17.914 #3(GW) = 17.241 #4(LX) = 4.511 #5(LY) = 4.697 #6(trns) = 0.000 #7(asym) = 1.0000 #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 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.00100 2 2012-05-24T12:12|K5CA3V5O18_phase2|Tyutyunnik|| 5.97(18) ; 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) = 13.946 #2(GV) = -17.914 #3(GW) = 90.826 #4(LX) = 4.511 #5(LY) = 4.697 #6(trns) = 0.000 #7(asym) = 1.0000 #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 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.00100 3 2012-05-24T12:12|K5CA3V5O18_phase3|Tyutyunnik|| 1.71(8) ; 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) = 13.946 #2(GV) = -17.914 #3(GW) = 17.241 #4(LX) = 4.511 #5(LY) = 4.697 #6(trns) = 0.000 #7(asym) = 1.0000 #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 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.00100 loop_ _atom_type_symbol _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 V 0.000 0.000 10.2971 6.86570 7.35110 0.43850 2.07030 26.8938 2.05710 102.478 1.21990 International_Tables_Vol_C Ca 0.000 0.000 8.62660 10.4421 7.38730 0.65990 1.58990 85.7484 1.02110 178.437 1.37510 International_Tables_Vol_C K 0.000 0.000 8.21860 12.7949 7.43980 0.77480 1.05190 213.187 0.86590 41.6841 1.42280 International_Tables_Vol_C O 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 C 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.8 _diffrn_radiation_wavelength 1.54056 _diffrn_radiation_type 'Cu K\a~1~' _pd_proc_ls_prof_R_factor 0.0169 _pd_proc_ls_prof_wR_factor 0.0232 _pd_proc_ls_prof_wR_expected 0.0142 _refine_ls_R_Fsqd_factor 0.0486 _pd_proc_ls_background_function ; GSAS Background function number 1 with 36 terms. Shifted Chebyshev function of 1st kind 1: 5026.69 2: -3238.28 3: 1539.28 4: -939.981 5: 254.515 6: 3.21141 7: -75.3482 8: 45.7965 9: -5.556160E-0210: -56.8568 11: 71.7464 12: -25.1470 13: -33.3075 14: 50.7758 15: -26.3868 16: -22.5302 17: 54.6879 18: -53.6280 19: 14.0871 20: 25.2682 21: -44.9588 22: 54.1253 23: -46.3694 24: 3.48332 25: 30.4865 26: -44.0346 27: 43.6821 28: -23.5278 29: 11.9090 30: 15.2530 31: -16.4637 32: 18.3821 33: 7.56235 34: -7.43443 35: 9.75926 36: 6.89299 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 4 Flat plate transmission absorption correction Terms = 0.35831 0.0000 Correction is refined. ; _exptl_absorpt_correction_T_min 0.30963 _exptl_absorpt_correction_T_max 0.57488 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_info_datetime 2012-05-24T12:12:22 _pd_calc_method 'Rietveld Refinement' #---- raw/calc data loop ----- _pd_meas_2theta_range_min 5.0 _pd_meas_2theta_range_max 119.98 _pd_meas_2theta_range_inc 0.02 _pd_proc_2theta_range_min 4.98493 _pd_proc_2theta_range_max 119.96494 _pd_proc_2theta_range_inc 0.02 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 11040.0 0.0000906 11009.74707 11009.74609 10943.0 0.0000914 10992.25391 10992.25391 10895.0 0.0000918 10975.58594 10975.58594 10988.0 0.0000910 10959.70020 10959.70020 10806.0 0.0000925 10944.55664 10944.55762 10939.0 0.0000914 10930.11719 10930.11816 11051.0 0.0000905 10916.34375 10916.34570 11034.0 0.0000906 10903.20117 10903.20313 10799.0 0.0000926 10890.65430 10890.65527 10729.0 0.0000932 10878.66895 10878.67090 10875.0 0.0000920 10867.21484 10867.21582 10859.0 0.0000921 10856.25879 10856.26074 10931.0 0.0000915 10845.77148 10845.77441 10885.0 0.0000919 10835.72559 10835.72754 10861.0 0.0000921 10826.09277 10826.09473 10711.0 0.0000934 10816.84570 10816.84766 10743.0 0.0000931 10807.95996 10807.96289 10663.0 0.0000938 10799.41113 10799.41309 10775.0 0.0000928 10791.17480 10791.17676 10846.0 0.0000922 10783.22949 10783.23145 10934.0 0.0000915 10775.55273 10775.55469 10724.0 0.0000932 10768.12402 10768.12598 10841.0 0.0000922 10760.92383 10760.92578 10828.0 0.0000924 10753.93457 10753.93652 10724.0 0.0000932 10747.13574 10747.13770 10755.0 0.0000930 10740.51074 10740.51270 10883.0 0.0000919 10734.04395 10734.04590 10673.0 0.0000937 10727.71875 10727.72070 10762.0 0.0000929 10721.52051 10721.52246 10733.0 0.0000932 10715.43457 10715.43652 10677.0 0.0000937 10709.44824 10709.44922 10829.0 0.0000923 10703.54688 10703.54883 10834.0 0.0000923 10697.71973 10697.72070 10730.0 0.0000932 10691.95410 10691.95508 10707.0 0.0000934 10686.23926 10686.24023 10700.0 0.0000935 10680.56543 10680.56641 10812.0 0.0000925 10674.92090 10674.92188 10720.0 0.0000933 10669.29785 10669.29883 10617.0 0.0000942 10663.68652 10663.68750 10715.0 0.0000933 10658.07910 10658.08008 10593.0 0.0000944 10652.46777 10652.46875 10541.0 0.0000949 10646.84473 10646.84570 10733.0 0.0000932 10641.20313 10641.20410 10576.0 0.0000946 10635.53809 10635.53809 10516.0 0.0000951 10629.84082 10629.84082 10414.0 0.0000960 10624.10742 10624.10840 10683.0 0.0000936 10618.33203 10618.33301 10592.0 0.0000944 10612.51074 10612.51172 10778.0 0.0000928 10606.63770 10606.63867 10581.0 0.0000945 10600.70996 10600.71094 10516.0 0.0000951 10594.72363 10594.72461 10561.0 0.0000947 10588.67578 10588.67578 10480.0 0.0000954 10582.56250 10582.56250 10522.0 0.0000950 10576.37988 10576.38086 10600.0 0.0000943 10570.12793 10570.12891 10463.0 0.0000956 10563.80371 10563.80371 10597.0 0.0000944 10557.40332 10557.40430 10624.0 0.0000941 10550.92871 10550.92871 10541.0 0.0000949 10544.37500 10544.37598 10515.0 0.0000951 10537.74316 10537.74414 10360.0 0.0000965 10531.03125 10531.03223 10467.0 0.0000955 10524.23926 10524.24023 10513.0 0.0000951 10517.36621 10517.36719 10585.0 0.0000945 10510.41211 10510.41211 10593.0 0.0000944 10503.37695 10503.37695 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2679.39624 2701.07300 2682.0 0.000373 2679.74414 2700.00073 2678.0 0.000373 2680.13037 2699.33813 2747.0 0.000364 2680.55347 2699.06934 2676.0 0.000374 2681.01221 2699.23413 2664.0 0.000375 2681.50464 2699.80835 2685.0 0.000372 2682.02905 2700.77368 2705.0 0.000370 2682.58472 2702.25244 2748.0 0.000364 2683.16846 2704.25488 2726.0 0.000367 2683.77905 2706.68921 2661.0 0.000376 2684.41406 2709.58057 2714.0 0.000368 2685.07153 2712.86035 2799.0 0.000357 2685.74878 2716.39844 2700.0 0.000370 2686.44360 2719.96802 2726.0 0.000367 2687.15332 2723.23193 2672.0 0.000374 2687.87476 2725.79126 2803.0 0.000357 2688.60620 2727.30005 2783.0 0.000359 2689.34351 2727.69336 2755.0 0.000363 2690.08472 2727.28613 2757.0 0.000363 2690.82544 2726.46826 2641.0 0.000379 2691.56348 2725.75098 2740.0 0.000365 2692.29492 2725.47900 2795.0 0.000358 2693.01611 2725.92090 2658.0 0.000376 2693.72388 2727.26904 2712.0 0.000369 2694.41431 2729.67798 2720.0 0.000368 2695.08350 2733.30054 2726.0 0.000367 2695.72729 2738.28247 2694.0 0.000371 2696.34229 2744.74756 2707.0 0.000369 2696.92407 2752.71973 2755.0 0.000363 2697.46851 2762.18311 2743.0 0.000365 2697.97119 2772.84814 2725.0 0.000367 2698.42822 2784.13770 2913.0 0.0003433 2698.83496 2794.98169 2870.0 0.0003484 2699.18677 2804.02515 2809.0 0.000356 2699.47974 2809.88843 2788.0 0.000359 2699.70898 2811.76611 2976.0 0.0003360 2699.87012 2809.62988 2928.0 0.0003415 2699.95850 2804.12134 2863.0 0.0003493 2699.96973 2796.26050 2722.0 0.000367 2699.89941 2787.24219 2854.0 0.0003504 2699.74316 2778.12134 2824.0 0.000354 2699.49609 2769.69336 2764.0 0.000362 2699.15430 2762.51343 2706.0 0.000370 2698.71313 2756.80273 2719.0 0.000368 2698.16895 2752.65967 2718.0 0.000368 2697.51685 2750.02832 2747.0 0.000364 2696.75342 2748.79053 2720.0 0.000368 2695.87524 2748.79639 2801.0 0.000357 2694.87769 2749.81543 2724.0 0.000367 2693.75830 2751.49487 2629.0 0.000380 2692.51318 2753.30029 2806.0 0.000356 2691.14014 2754.60620 2723.0 0.000367 2689.63550 2754.84253 2738.0 0.000365 2687.99829 2753.72998 2731.0 0.000366 2686.22510 2751.31421 2713.0 0.000369 2684.31567 2747.82642 2710.0 0.000369 2682.26831 2743.79175 2770.0 0.000361 2680.08105 2739.62085 2746.0 0.000364 2677.75586 2735.68848 2807.0 0.000356 2675.29077 2732.19043 2709.0 0.000369 2672.68848 2729.10278 2735.0 0.000366 2669.94873 2726.10913 2785.0 0.000359 2667.07593 2722.63135 2715.0 0.000368 2664.07007 2718.11963 2685.0 0.000372 2660.93750 2712.32422 2667.0 0.000375 2657.68140 2705.40845 2603.0 0.000384 2654.30566 2697.85303 2652.0 0.000377 2650.81934 2690.17383 2650.0 0.000377 2647.22681 2682.75000 2700.0 0.000370 2643.53882 2675.81250 2623.0 0.000381 2639.76245 2669.45679 2662.0 0.000376 2635.91089 2663.77539 2667.0 0.000375 2631.99463 2658.77124 2643.0 0.000378 2628.02539 2654.41357 2660.0 0.000376 2624.02051 2650.70093 2613.0 0.000383 2619.99390 2647.60205 2641.0 0.000379 2615.96558 2645.06836 2708.0 0.000369 2611.95215 2643.00195 2534.0 0.000395 2607.97803 2641.24585 2661.0 0.000376 2604.06323 2639.55298 2731.0 0.000366 2600.23584 2637.59521 2640.0 0.000379 2596.52148 2635.10278 2634.0 0.000380 2592.94824 2631.93335 2675.0 0.000374 2589.55029 2628.15796 2565.0 0.000390 2586.35938 2624.02466 2686.0 0.000372 2583.41504 2619.78027 2616.0 0.000382 2580.75366 2615.67358 2590.0 0.000386 2578.41992 2611.92969 2567.0 0.000390 2576.45703 2608.73755 2632.0 0.000380 2574.91528 2606.31567 2663.0 0.000376 2573.84448 2604.80054 2641.0 0.000379 2573.30029 2604.28174 2644.0 0.000378 2573.34131 2604.77100 2627.0 0.000381 2574.03003 2606.23633 2599.0 0.000385 2575.43188 2608.65137 2566.0 0.000390 2577.61865 2612.03052 2714.0 0.000368 2580.66309 2616.44946 2657.0 0.000376 2584.64502 2621.89624 2698.0 0.000371 2589.65015 2628.41528 2611.0 0.000383 2595.76367 2636.05981 2515.0 0.000398 2603.08398 2644.81104 2628.0 0.000381 2611.70459 2654.79224 2688.0 0.000372 2621.73730 2666.11108 2639.0 0.000379 2633.28442 2678.89087 2759.0 . . . _pd_meas_number_of_points 5750 _pd_proc_number_of_points 5750 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 1 0 1 o 173.241 199.256 180.00 9.72396 7.64 1 0 -2 2 o 39998.40 8284.115 -25.39 8.42160 2.29 1 0 4 2 o -642.075 27469.725 -72.39 6.67156 0.00 1 0 0 1 o -0.577 2.928 0.00 6.62553 0.04 0 0 6 2 o 58226.08 48667.66 4.97 6.31173 0.63 1 1 0 1 o 194.055 179.098 0.00 6.31033 3.57 1 1 0 2 o 49931.94 45671.79 180.00 5.42869 1.19 0 0 1 1 o 443.250 349.525 0.00 5.46199 5.90 0 1 -1 1 o 326.383 430.584 180.00 5.25708 4.24 1 1 3 2 o -88.159 4913.397 116.90 4.98709 0.00 1 1 -1 1 o 745.616 827.764 0.00 5.04818 8.31 1 -1 0 1 o 38.696 47.215 180.00 4.90294 0.41 0 2 0 1 o 10.476 33.834 180.00 4.86198 0.14 1 0 -1 1 o 829.090 640.524 180.00 4.72354 8.39 2 0 2 2 o 152008.36 103159.62 165.02 4.56285 2.48 1 2 0 1 o 1258.437 1207.200 0.00 4.53623 11.46 0 1 1 1 o 4847.804 4942.733 0.00 4.38499 43.05 1 0 -8 2 o 12096.695 17070.666 126.58 4.22819 0.17 2 0 -4 2 o 58360.47 93372.85 20.29 4.21080 0.84 1 2 -1 1 o 483.810 507.710 0.00 4.27130 3.96 1 1 6 2 o 11119.012 2778.438 8.97 4.11576 0.31 0 2 -1 1 o 1.563 0.086 0.00 4.08251 0.01 1 0 -2 3 o -166.808 1013.427 0.00 3.85722 0.00 1 0 1 1 o -2.245 26.221 0.00 3.84103 0.00 1 -1 -1 1 o 1099.374 1061.189 180.00 3.73848 7.42 2 1 1 2 o 20623.111 22175.398 170.06 3.53837 0.41 1 0 10 2 o 181205.95 178223.73 102.74 3.51282 1.80 1 1 1 1 o 4204.735 3936.965 180.00 3.58001 25.15 2 1 -2 2 o 33054.652 29713.596 143.43 3.49292 0.69 1 -1 1 1 o 119.023 109.216 180.00 3.56490 0.55 1 -2 0 1 o 5507.611 5461.903 180.00 3.50134 30.86 2 1 0 1 o 1178.258 1141.834 180.00 3.42573 6.74 2 0 8 2 o 109879.42 124298.06 131.09 3.33578 0.95 2 1 4 2 o 218023.39 230105.17 -16.64 3.32722 3.95 1 1 9 2 o 25916.697 27076.078 114.00 3.32575 0.46 2 1 -1 1 o 206.051 204.365 180.00 3.37374 1.07 2 0 0 1 o 19495.166 19457.393 180.00 3.31276 100.00 1 3 -1 1 o 341.933 351.953 0.00 3.30524 1.78 0 2 1 1 o 2537.017 2646.960 180.00 3.30326 12.93 2 1 -5 2 o 7917.179 7627.798 -77.78 3.21734 0.14 1 3 0 1 o 14.429 21.846 0.00 3.27503 0.09 0 3 0 1 o 887.049 859.683 0.00 3.24132 4.64 2 2 -1 1 o 6153.979 5976.636 180.00 3.24125 29.96 0 0 12 2 o 56175.43 53082.63 96.12 3.15586 0.14 3 0 0 2 o 80834.38 84359.16 -135.37 3.13426 0.66 2 2 0 1 o 2075.421 2067.436 180.00 3.15516 9.54 2 0 -1 1 o 208.712 204.964 0.00 3.13605 1.10 0 3 -1 1 o 16685.750 17373.754 180.00 3.08656 74.60 1 0 4 3 o 20670.918 20338.164 0.00 3.03859 5.78 2 1 7 2 o 1487.837 1460.462 146.54 2.97034 0.02 1 2 1 1 o 9993.309 10253.832 0.00 3.02308 43.26 2 0 -10 2 o 1736257.5 1241738.3 58.02 2.94923 12.21 1 -2 1 1 o 1504.842 1605.903 180.00 3.00493 6.51 2 -1 0 1 o 188.021 239.739 0.00 2.90885 0.84 2 1 -8 2 o 150493.47 140007.94 85.99 2.84210 1.97 1 -2 -1 1 o 5802.381 6020.415 180.00 2.89360 23.27 1 1 -2 1 o 20517.305 19687.070 0.00 2.88188 79.55 3 0 -6 2 o 18242.197 26609.330 -97.02 2.80720 0.12 3 0 6 2 o 58958.77 87389.66 -77.31 2.80720 0.41 0 0 6 3 o 1838.656 1582.655 180.00 2.84805 0.14 2 3 -1 1 o 13710.050 12790.059 0.00 2.84363 52.11 1 2 -2 1 o 179.880 205.367 180.00 2.79435 0.64 0 1 -2 1 o 855.434 817.795 0.00 2.78606 3.26 1 1 12 2 o 71740.15 73642.45 -122.05 2.72834 0.86 2 2 0 2 o 1078160.0 1209516.9 0.00 2.71435 6.47 1 0 -2 1 o 437.579 412.450 0.00 2.73284 1.52 0 0 2 1 o 93.003 91.409 180.00 2.73100 0.31 2 -1 -1 1 o 2121.934 2231.882 180.00 2.70514 7.25 2 3 0 1 o 52.070 53.569 0.00 2.70326 0.15 2 2 3 2 o 56848.20 51383.74 -20.86 2.65369 0.63 1 -3 0 1 o 1196.929 1286.032 0.00 2.64728 3.85 3 1 -1 2 o 66434.97 72045.82 -155.13 2.60170 0.72 1 0 -14 2 o 66228.01 76106.88 -42.58 2.59959 0.35 2 1 10 2 o 87323.97 121828.05 74.35 2.59149 0.97 0 2 -2 1 o 819.849 512.950 180.00 2.62854 2.62 3 1 2 2 o 572.535 963.796 70.70 2.58347 0.01 2 0 1 1 o 341.109 357.029 180.00 2.60288 0.98 1 4 -1 1 o 6.263 10.022 180.00 2.58706 0.03 2 1 1 1 o 310.894 461.658 180.00 2.58541 1.05 0 3 1 1 o 121.485 151.714 0.00 2.56126 0.40 3 1 -4 2 o 777.099 840.849 134.04 2.51422 0.01 2 2 6 2 o 82186.88 94534.23 -29.28 2.49354 0.81 1 3 -2 1 o 1345.392 1269.897 0.00 2.52474 3.84 2 2 -2 1 o 2188.175 2059.111 180.00 2.52409 6.38 2 1 -2 1 o 2611.059 2550.001 180.00 2.51942 7.57 2 1 -11 2 o 18036.344 20615.955 -15.04 2.47276 0.18 1 4 0 1 o 1385.318 1683.406 180.00 2.50769 4.04 3 1 5 2 o 52738.34 58954.32 128.48 2.46579 0.51 0 1 2 1 o 540.485 622.669 180.00 2.49628 1.74 1 1 0 3 o 3739.674 4258.556 0.00 2.49577 0.72 1 3 1 1 o 2937.247 3431.971 0.00 2.48476 8.40 1 -3 1 1 o 1056.054 1192.945 180.00 2.46965 3.04 2 -2 0 1 o 1362.702 1395.592 180.00 2.45147 3.85 2 -1 1 1 o 3568.244 3597.615 0.00 2.44886 9.95 1 -1 -2 1 o 416.026 423.093 180.00 2.43584 1.13 0 4 0 1 o 2270.103 2289.036 180.00 2.43099 6.13 0 4 -1 1 o 1464.488 1252.959 0.00 2.41765 3.93 2 2 1 1 o 718.876 714.432 0.00 2.40593 1.99 3 1 -7 2 o 1039.555 845.474 -133.89 2.34917 0.01 2 4 -1 1 o 1674.075 1582.185 0.00 2.40216 4.43 2 0 14 2 o 37039.71 32900.445 -18.34 2.34463 0.16 4 0 -2 2 o 143725.06 141740.23 171.69 2.33279 0.61 2 0 -2 1 o 1314.518 1060.475 0.00 2.36177 3.38 1 0 2 1 o 4861.681 4066.872 180.00 2.35821 12.33 2 3 -2 1 o 1133.518 856.522 0.00 2.37337 2.79 3 2 -1 1 o 1.320 0.805 0.00 2.34972 0.01 0 3 -2 1 o 60.896 49.998 180.00 2.34539 0.18 3 1 -1 1 o 4.661 3.742 180.00 2.34381 0.03 1 -1 2 1 o 3566.272 3829.331 180.00 2.33881 9.12 1 0 16 2 o 217882.97 205173.03 -135.11 2.29529 0.92 1 1 15 2 o 44132.85 42321.89 -28.79 2.28924 0.36 3 1 8 2 o 5696.313 5780.898 -64.35 2.28418 0.05 4 0 4 2 o 96544.88 102913.98 139.69 2.28142 0.40 2 2 9 2 o 5351.013 5749.231 53.57 2.28095 0.04 1 -3 -1 1 o 224.262 191.580 180.00 2.30347 0.51 3 1 0 1 o 6262.493 5855.532 180.00 2.28893 15.06 2 1 13 2 o 10855.550 9581.882 32.73 2.25295 0.09 1 1 3 3 o 3844.748 3646.722 0.00 2.28597 1.17 2 -2 -1 1 o 18.171 26.026 0.00 2.27756 0.08 2 4 0 1 o 16.479 15.756 0.00 2.26811 0.09 3 0 12 2 o 113608.74 199910.22 166.69 2.22385 0.47 3 0 -12 2 o 27306.422 47589.16 113.08 2.22385 0.11 3 2 0 1 o 1653.669 1649.948 0.00 2.24809 3.94 1 1 2 1 o 3182.864 3199.942 180.00 2.24747 7.35 3 3 -1 1 o 47.425 81.394 180.00 2.22851 0.09 3 0 -1 1 o 924.880 979.633 0.00 2.21349 2.12 3 0 0 1 o 596.713 579.454 0.00 2.20851 1.29 1 4 -2 1 o 2809.032 2810.270 0.00 2.19877 6.38 1 -2 2 1 o 534.427 533.887 0.00 2.19814 1.19 2 -2 1 1 o 72.240 72.087 0.00 2.19765 0.18 0 2 2 1 o 3184.279 3230.313 0.00 2.19249 6.96 3 2 1 2 o 31575.322 31296.744 164.78 2.15365 0.23 2 1 -14 2 o 244.133 253.606 -140.36 2.15246 0.00 3 1 -10 2 o 33429.492 37773.43 47.52 2.14785 0.25 3 2 -2 2 o 31866.141 39049.75 -52.00 2.14328 0.24 2 3 1 1 o 24.572 27.206 180.00 2.14640 0.04 2 0 -16 2 o 9376.162 10011.590 -44.27 2.11409 0.04 2 4 -2 1 o 21.960 26.266 180.00 2.13565 0.04 4 0 -8 2 o 38723.41 42262.17 88.95 2.10540 0.14 0 0 18 2 o 86243.30 94187.61 -25.86 2.10391 0.10 3 2 4 2 o 48406.70 52868.93 -160.01 2.10324 0.34 2 -1 -2 1 o -5.591 6.440 0.00 2.12160 0.02 1 -2 -2 1 o 3729.073 3785.666 0.00 2.11131 7.58 1 -4 0 1 o 2446.772 2736.207 0.00 2.10834 5.06 3 1 11 2 o 33887.340 30557.129 -78.61 2.07879 0.23 3 3 0 1 o 1030.256 1124.345 0.00 2.10344 2.07 3 2 -5 2 o 7158.983 7234.749 -0.55 2.07464 0.05 2 0 2 3 o 5813.392 6588.525 0.00 2.09539 0.77 1 5 -1 1 o 435.479 475.639 180.00 2.09225 0.87 2 2 12 2 o 10397.908 11830.535 -77.23 2.05788 0.08 4 1 0 2 o 13733.188 14112.357 49.10 2.05185 0.09 3 2 -2 1 o 2129.627 1773.897 180.00 2.07876 4.25 0 4 1 1 o -2.667 0.616 0.00 2.06557 0.02 1 4 1 1 o 561.749 662.771 180.00 2.05992 1.06 2 -3 0 1 o 147.575 176.717 180.00 2.05950 0.33 1 2 2 1 o 1073.803 1071.099 180.00 2.05289 2.05 4 1 -3 2 o 31543.996 30392.918 -44.86 2.02527 0.21 4 1 3 2 o 15229.288 14686.592 -4.88 2.02527 0.10 1 -4 1 1 o 258.024 263.151 0.00 2.04843 0.51 0 4 -2 1 o 3165.149 3352.191 0.00 2.04125 6.00 3 1 -2 1 o 5814.685 6162.757 180.00 2.04022 11.11 3 -1 0 1 o 919.364 973.815 0.00 2.03985 1.74 3 2 7 2 o 611.546 718.780 -133.64 2.00374 0.00 3 4 -1 1 o -0.120 0.059 0.00 2.02966 0.00 3 3 -2 1 o 3011.954 2854.158 180.00 2.02552 5.41 2 5 -1 1 o 34.100 30.690 180.00 2.02409 0.07 4 0 10 2 o 503765.7 663949.0 -52.83 1.99722 1.60 1 5 0 1 o 10829.807 10556.197 180.00 2.01636 20.11 3 -1 -1 1 o 4508.733 4389.679 0.00 2.01082 8.32 2 1 16 2 o 18019.590 6719.743 95.97 1.96999 0.11 1 -3 2 1 o 1304.865 1503.488 180.00 1.99102 2.37 3 2 -8 2 o 252054.31 138483.98 -125.10 1.96294 1.52 1 1 18 2 o 15467.352 9090.851 -139.43 1.96174 0.09 4 1 6 2 o 69851.29 73964.69 111.26 1.95133 0.41 4 1 -6 2 o 100285.23 106429.99 55.79 1.95133 0.61 3 1 -13 2 o 8080.473 8369.591 151.97 1.94302 0.05 0 5 -1 1 o 33.254 13.323 180.00 1.96739 0.06 0 5 0 1 o 605.550 634.540 0.00 1.94479 0.99 3 1 1 1 o 3364.773 3379.147 0.00 1.93622 5.64 1 2 -3 1 o 24.936 23.433 180.00 1.93037 0.05 2 -3 1 1 o 6254.736 5936.147 0.00 1.92984 10.40 1 1 -3 1 o 170.526 162.173 0.00 1.92947 0.27 2 0 -4 3 o 3490.512 3307.244 0.00 1.92861 0.39 2 -3 -1 1 o 1.462 1.429 0.00 1.92430 0.00 3 0 -2 1 o 1644.596 1642.241 0.00 1.92373 2.77 2 0 2 1 o 912.514 996.295 180.00 1.92052 1.60 1 0 -8 3 o 8704.438 10732.980 0.00 1.91500 0.95 3 0 1 1 o 104.638 130.786 180.00 1.91395 0.20 2 5 0 1 o 187.313 230.330 180.00 1.91360 0.33 2 1 -17 2 o 4699.266 3227.074 84.70 1.88751 0.03 3 4 0 1 o 1972.165 2035.331 180.00 1.90583 3.29 0 3 2 1 o 1302.106 1143.153 180.00 1.90095 2.09 3 1 14 2 o 16547.480 16758.008 -63.80 1.87745 0.09 3 4 -2 1 o 733.668 618.414 180.00 1.89928 1.22 3 2 10 2 o 44525.16 49412.41 147.07 1.87439 0.24 1 5 -2 1 o 1378.780 1107.232 180.00 1.89675 2.22 1 -4 -1 1 o 2154.260 1585.572 0.00 1.89439 3.35 5 0 2 2 o 102336.88 121398.28 -166.85 1.87135 0.29 2 1 2 1 o 10.891 5.013 180.00 1.88634 0.03 3 2 1 1 o 4529.562 3791.132 180.00 1.88427 7.17 2 5 -2 1 o 741.800 654.398 0.00 1.88270 1.14 2 -1 2 1 o 642.793 576.085 0.00 1.88191 0.98 2 4 1 1 o 49.321 45.472 0.00 1.88139 0.06 1 0 -20 2 o 148499.19 184632.48 -57.00 1.85625 0.40 1 1 6 3 o 5651.084 5869.863 0.00 1.87704 1.18 2 2 15 2 o 1384.049 3132.713 70.88 1.84864 0.01 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1 1 o 1006.322 858.680 180.00 1.21780 0.66 4 2 23 2 o 455.290 527.452 -123.33 1.20776 0.00 1 -7 -1 1 o 258.254 199.746 0.00 1.21615 0.16 3 2 -26 2 o 8068.051 9494.234 -22.95 1.20714 0.02 0 8 0 1 o 440.498 371.180 0.00 1.21549 0.28 6 1 17 2 o 2637.803 3018.327 -126.20 1.20572 0.01 5 1 22 2 o 49180.17 55227.39 -126.92 1.20551 0.11 2 8 -3 1 o 124.074 105.496 180.00 1.21358 0.08 1 -4 4 1 o 10.453 11.102 0.00 1.21213 0.00 5 4 1 2 o 7398.415 7352.529 -161.46 1.20329 0.02 7 0 -14 2 o 39456.98 38916.72 60.95 1.20309 0.04 5 3 14 2 o 14149.694 13959.652 59.05 1.20309 0.03 5 4 -2 2 o 2403.458 2223.243 -138.33 1.20148 0.01 3 1 -28 2 o 40431.25 36552.65 -172.73 1.20064 0.09 3 8 0 1 o 2407.851 2712.091 0.00 1.20909 1.55 4 -2 -3 1 o 0.010 0.022 0.00 1.20903 0.00 0 8 -2 1 o 67.625 77.369 0.00 1.20883 0.05 0 5 3 1 o 618.405 691.029 180.00 1.20847 0.39 4 -4 -1 1 o 1595.985 1793.538 0.00 1.20839 1.05 5 -2 -1 1 o 10.286 11.885 0.00 1.20720 0.01 4 3 -20 2 o 11173.030 10008.513 -102.76 1.19745 0.02 2 -5 3 1 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1.16431 0.05 6 3 6 2 o 4394.544 6751.040 158.86 1.16431 0.01 1 -3 -4 1 o 1171.711 1160.275 180.00 1.17200 0.73 6 2 -2 1 o 604.613 601.145 0.00 1.17191 0.39 6 1 -19 2 o 18692.512 28291.150 -46.98 1.16399 0.04 2 -2 4 1 o 2056.997 2618.402 0.00 1.16940 1.26 3 -6 0 1 o 457.724 613.177 180.00 1.16711 0.28 7 1 12 2 o 55988.03 57929.86 -101.30 1.15848 0.12 7 1 -12 2 o 66061.37 68332.23 90.71 1.15848 0.14 3 6 2 1 o 91.487 145.435 180.00 1.16620 0.06 4 1 -27 2 o 3975.367 4040.958 169.87 1.15792 0.01 4 1 27 2 o 2604.433 2648.257 33.37 1.15792 0.01 4 -3 2 1 o 29.688 57.619 0.00 1.16481 0.03 3 -5 -2 1 o 301.362 473.800 180.00 1.16454 0.19 6 1 -1 1 o 5.599 12.164 0.00 1.16410 0.01 2 9 -1 1 o 45.224 67.611 180.00 1.16347 0.03 5 2 -21 2 o 1237.135 1307.678 152.91 1.15577 0.00 5 2 21 2 o 562.592 596.486 21.75 1.15577 0.00 2 1 31 2 o 8857.880 9494.568 -97.15 1.15528 0.02 2 3 -5 1 o 113.675 132.066 0.00 1.16142 0.06 1 8 1 1 o 213.051 239.800 180.00 1.16092 0.13 4 2 -25 2 o 2359.949 2279.369 -122.74 1.15279 0.00 5 0 26 2 o 148188.50 139892.80 175.11 1.15154 0.15 2 2 -5 1 o 32.322 34.731 0.00 1.15895 0.02 2 1 4 1 o 1888.059 2017.014 0.00 1.15856 1.14 2 9 -2 1 o 2680.441 2849.368 180.00 1.15847 1.62 5 -2 -2 1 o 106.146 112.159 0.00 1.15844 0.06 5 3 17 2 o 6947.595 6577.580 -147.76 1.15031 0.01 4 3 22 2 o 19190.939 18122.641 -151.61 1.15013 0.04 1 -8 1 1 o 180.713 173.059 180.00 1.15680 0.11 7 2 -1 2 o 4311.647 4107.543 4.17 1.14820 0.01 2 0 32 2 o 24294.215 23438.613 -130.10 1.14765 0.03 5 4 10 2 o 3956.286 3859.053 167.83 1.14732 0.01 1 2 -5 1 o 73.556 80.675 180.00 1.15465 0.04 3 1 -4 3 o 3090.038 3314.787 0.00 1.15433 0.24 7 2 2 2 o 19705.648 19625.418 -177.76 1.14662 0.04 1 7 2 1 o 2353.628 2412.302 180.00 1.15386 1.40 4 8 -3 1 o 1572.136 1553.634 0.00 1.15349 0.91 3 2 28 2 o 80466.70 81645.35 164.00 1.14590 0.17 1 7 -4 1 o 3390.235 3236.650 0.00 1.15305 1.97 1 -5 4 1 o 630.999 595.470 180.00 1.15286 0.38 5 3 -4 1 o 101.754 94.910 180.00 1.15255 0.06 2 2 30 2 o 144246.73 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1.14047 0.02 7 2 -4 2 o 81281.77 82457.27 13.67 1.14037 0.16 6 3 9 2 o 34199.719 34626.293 -57.45 1.14031 0.07 6 3 -9 2 o 9203.359 9314.135 -127.45 1.14031 0.02 2 4 -5 1 o 149.880 144.317 180.00 1.14758 0.09 7 2 5 2 o 6003.233 5255.328 -71.33 1.13574 0.01 2 2 6 3 o 1563.096 1678.253 0.00 1.14298 0.12 1 -8 0 1 o 201.923 215.220 0.00 1.14289 0.12 1 1 -5 1 o 252.160 258.603 0.00 1.14247 0.15 3 -4 -3 1 o 199.629 202.043 0.00 1.14224 0.12 6 3 0 1 o 1920.387 1922.045 180.00 1.14191 1.14 3 9 -1 1 o 975.849 975.648 180.00 1.14186 0.56 1 -7 3 1 o 202.754 214.292 180.00 1.14059 0.11 2 1 -5 1 o 704.466 750.785 0.00 1.14047 0.41 2 -3 4 1 o 4.971 5.400 180.00 1.14036 0.00 4 5 2 1 o 963.204 1029.016 180.00 1.14031 0.54 5 -2 1 1 o 719.181 765.901 180.00 1.14009 0.42 1 3 4 1 o 23.648 22.344 0.00 1.13930 0.01 4 -4 -2 1 o 194.707 173.039 0.00 1.13878 0.11 5 2 -4 1 o 417.690 345.831 0.00 1.13755 0.24 3 3 -5 1 o 150.911 120.806 180.00 1.13730 0.09 0 8 1 1 o 189.832 157.333 0.00 1.13690 0.10 1 9 -2 1 o 334.774 282.434 0.00 1.13670 0.18 5 -1 -3 1 o 360.104 309.391 180.00 1.13629 0.21 2 -3 -4 1 o 551.229 492.548 0.00 1.13580 0.32 3 4 3 1 o 362.882 327.084 180.00 1.13573 0.20 5 1 25 2 o 1890.695 1776.725 -143.77 1.12764 0.00 5 5 -4 1 o 16.665 14.349 0.00 1.13498 0.01 4 3 -23 2 o 8508.221 8250.646 73.32 1.12698 0.02 4 2 26 2 o 18265.676 17969.713 173.36 1.12648 0.04 4 8 0 1 o 197.191 171.334 0.00 1.13406 0.11 6 2 -17 2 o 8192.078 8205.642 147.93 1.12533 0.02 3 -6 -1 1 o 1573.896 1492.559 180.00 1.13178 0.91 6 1 0 1 o 366.372 356.844 0.00 1.13140 0.20 3 1 5 3 o 3.255 3.175 0.00 1.13133 0.00 7 2 -7 2 o 2983.322 3070.102 -75.42 1.12368 0.01 1 4 -5 1 o 476.517 464.459 180.00 1.13128 0.28 2 1 -32 2 o 2800.958 2952.289 -140.47 1.12283 0.01 1 1 33 2 o 1704.234 1798.953 -135.59 1.12277 0.00 3 4 -5 1 o 9.355 8.407 180.00 1.13021 0.01 8 0 -10 2 o 24738.316 26401.219 118.94 1.12253 0.02 4 7 -4 1 o 1136.912 1031.817 0.00 1.13012 0.65 3 -4 3 1 o 2673.507 2400.408 180.00 1.12995 1.53 3 2 -5 1 o 44.725 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2201.237 2141.064 180.00 1.11179 1.22 5 8 -2 1 o 20.031 19.476 180.00 1.11158 0.01 5 2 2 1 o 1836.731 1778.996 180.00 1.11117 1.04 6 2 -3 1 o 805.129 742.833 180.00 1.11041 0.44 5 1 -26 2 o 4579.591 4728.971 129.57 1.10298 0.01 6 1 -22 2 o 31479.984 31061.861 139.03 1.10174 0.06 6 5 -3 1 o 379.950 338.617 180.00 1.10869 0.22 3 5 -5 1 o 2960.130 2637.803 0.00 1.10854 1.63 5 1 -4 1 o 80.978 72.992 0.00 1.10843 0.04 2 0 -5 1 o 1485.288 1316.839 180.00 1.10817 0.83 0 3 -5 1 o 91.898 80.089 0.00 1.10804 0.06 3 8 1 1 o 114.797 101.603 0.00 1.10750 0.06 8 1 1 2 o 12157.729 10637.565 132.45 1.10005 0.02 5 4 -14 2 o 36455.97 31544.307 55.28 1.09989 0.07 6 0 -2 1 o 12.308 10.505 0.00 1.10675 0.01 7 2 -10 2 o 35903.25 30821.574 -32.12 1.09927 0.07 3 1 -5 1 o 1658.990 1483.190 180.00 1.10628 0.90 8 1 -2 2 o 3180.709 2725.000 -50.80 1.09866 0.01 5 0 2 1 o 47.795 47.940 0.00 1.10540 0.03 2 9 -3 1 o 317.385 323.795 0.00 1.10529 0.18 5 0 -28 2 o 56878.56 49401.21 -17.39 1.09802 0.05 0 9 -1 1 o 540.533 571.643 180.00 1.10502 0.30 5 6 -4 1 o 443.201 491.000 180.00 1.10448 0.25 6 0 0 1 o 454.096 500.571 180.00 1.10425 0.25 1 -7 -2 1 o 1269.515 1360.199 0.00 1.10392 0.69 4 -5 -1 1 o 48.042 50.393 0.00 1.10371 0.03 6 6 -1 1 o 895.119 918.680 0.00 1.10349 0.50 7 0 -20 2 o 23688.623 22824.758 -66.98 1.09558 0.02 5 3 20 2 o 18882.877 18180.982 -96.77 1.09558 0.04 4 -1 3 1 o 284.645 296.501 180.00 1.10181 0.16 3 9 -3 1 o 657.048 681.502 180.00 1.10175 0.36 4 9 -2 1 o 1675.097 1690.338 0.00 1.10150 0.92 0 6 3 1 o 154.805 145.215 0.00 1.10109 0.09 8 1 4 2 o 11622.055 14224.237 -21.21 1.09315 0.02 2 8 -4 1 o 149.665 126.715 0.00 1.09938 0.09 4 2 3 1 o 109.702 96.249 0.00 1.09913 0.05 2 -4 4 1 o 3.197 2.588 180.00 1.09907 0.00 4 -4 2 1 o 453.598 392.965 0.00 1.09882 0.23 1 5 -5 1 o 1176.067 1004.236 180.00 1.09847 0.63 6 2 19 2 o 1262.176 1683.328 93.69 1.09117 0.00 3 8 -4 1 o 14.633 12.671 180.00 1.09804 0.01 5 8 -1 1 o 16.580 13.397 0.00 1.09801 0.01 7 2 11 2 o 296.850 402.788 166.35 1.08967 0.00 5 2 24 2 o 17174.605 23435.160 48.46 1.08931 0.03 5 2 -24 2 o 26006.939 35609.17 -178.64 1.08931 0.05 0 4 4 1 o 125.913 119.550 180.00 1.09625 0.07 8 1 -5 2 o 10651.213 14323.104 -147.53 1.08908 0.02 1 6 3 1 o 468.402 425.986 180.00 1.09594 0.26 0 7 -4 1 o 5.756 5.104 180.00 1.09567 0.00 4 -5 1 1 o 600.168 556.308 0.00 1.09525 0.32 6 5 0 1 o 309.288 375.404 0.00 1.09292 0.17 5 3 2 1 o 382.044 461.751 0.00 1.09279 0.20 5 5 0 2 o 69715.48 93051.49 0.00 1.08574 0.07 0 0 5 1 o 727.268 889.699 0.00 1.09240 0.40 3 9 0 1 o 169.343 210.795 180.00 1.09168 0.09 4 4 21 2 o 540.712 684.934 143.49 1.08439 0.00 2 0 -34 2 o 9294.461 11474.649 44.63 1.08383 0.01 4 9 -1 1 o 393.200 532.781 0.00 1.09060 0.21 5 6 1 1 o 649.965 888.277 180.00 1.09023 0.36 1 -4 -4 1 o 206.683 288.211 180.00 1.08983 0.12 3 -6 2 1 o 704.816 985.074 0.00 1.08970 0.39 4 3 25 2 o 4119.348 4453.982 30.34 1.08193 0.01 5 5 3 2 o 20993.492 22277.637 -178.42 1.08174 0.04 6 1 23 2 o 13152.663 13390.933 -100.56 1.08134 0.02 1 -6 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