#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:23:26 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1242 $ #$URL: svn://localhost/testcod/cif/4/06/00/4060000.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4060000 loop_ _publ_author_name 'Dinnebier, Robert' 'Esbak, Hoda' 'Olbrich, Falk' 'Behrens, Ulrich' _publ_section_title ; Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates ; _journal_issue 10 _journal_name_full Organometallics _journal_page_first 2604 _journal_page_last 2608 _journal_paper_doi 10.1021/om060927t _journal_volume 26 _journal_year 2007 _chemical_compound_source 'laboratory preparation' _chemical_formula_analytical 'C12 H8 K N' _chemical_formula_moiety 'C12 H8 K N' _chemical_formula_structural '[K(NC12H8)]n' _chemical_formula_sum 'C12 H8 K N' _chemical_formula_weight 205.30 _chemical_melting_point '279 oC' _chemical_name_common 'potassium carbazolate' _chemical_name_systematic ' potassium carbazolate' _space_group_IT_number 161 _space_group_name_Hall 'R 3 -2"c' _space_group_name_H-M_alt 'R 3 c :H' _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'R 3 c :H' _audit_creation_date 2006-02-15T11:59 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2006-02-15T11:59 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 18 _cell_length_a 25.0827(9) _cell_length_b 25.0827 _cell_length_c 7.83554(24) _cell_measurement_temperature 100 _cell_volume 4269.2(2) _computing_molecular_graphics 'SHELXTL (Bruker AXS, 1998)' _computing_structure_refinement GSAS _computing_structure_solution 'DASH structure solution package' _diffrn_ambient_temperature 100 _diffrn_measurement_device_type 'StadiP, Stoe & Cie GmbH' _diffrn_radiation_monochromator Ge(111) _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54056 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_crystal_density_diffrn 1.437 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1908 _pd_block_id 2006-02-15T11:59|KCARBRV_NEW_RENAMED|R.E.D.|Stoe_Stadi-P _pd_calc_method 'Rietveld Refinement' _pd_char_colour colourless _pd_char_particle_morphology 'not determined' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01 _pd_meas_2theta_range_max 60.09 _pd_meas_2theta_range_min 4.0 _pd_meas_number_of_points 5610 _pd_meas_scan_method step _pd_phase_name 'K-carbazolid T= 100 K' _pd_prep_temperature 100 _pd_proc_2theta_range_inc 0.01 _pd_proc_2theta_range_max 60.05699 _pd_proc_2theta_range_min 3.96699 _pd_proc_info_datetime 2006-02-15T11:59:43 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 2 with 4 terms. Cosine Fourier series 1: 0.00000 2: 0.00000 3: 0.00000 4: 0.00000 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_profile_function ; CW Profile function number 4 with 16 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 0.000 #2(GV) = 0.000 #3(GW) = 0.000 #4(GP) = 10.094 #5(LX) = 0.000 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = 0.0000 #9(sfec) = 0.00 #10(S/L) = 0.0206 #11(H/L) = 0.0201 #12(eta) = 0.8864 #13(S400 ) = 5.0E-03 #14(S004 ) = 2.1E-01 #15(S202 ) = 2.4E-03 #16(S301 ) = 0.0E+00 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0442 _pd_proc_ls_prof_wR_expected 0.0726 _pd_proc_ls_prof_wR_factor 0.0562 _pd_proc_number_of_points 5610 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 0.90 _refine_ls_hydrogen_treatment riding _refine_ls_matrix_type full _refine_ls_number_parameters 69 _refine_ls_number_restraints 74 _refine_ls_R_Fsqd_factor 0.09915 _refine_ls_shift/su_max 0.09 _refine_ls_shift/su_mean 0.06 _reflns_d_resolution_high 1.543 _reflns_d_resolution_low 12.541 _reflns_limit_h_max 13 _reflns_limit_h_min 1 _reflns_limit_k_max 8 _reflns_limit_k_min 0 _reflns_limit_l_max 4 _reflns_limit_l_min -5 _reflns_number_total 138 _cod_data_source_file om060927trom20061010_045140.cif _cod_data_source_block KCarb _cod_original_sg_symbol_H-M 'R 3 c' _cod_database_code 4060000 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -y,x-y,+z 3 y-x,-x,+z 4 y-x,+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 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 K1 0.35634(19) 0.26900(23) 0.5277(6) 1.0 Uiso 0.0234(17) 18 N N1 0.23826(5) 0.26129(28) 0.53328(13) 1.0 Uiso 0.0178(26) 18 C C1 0.19091(10) 0.20617(23) 0.58973(34) 1.0 Uiso 0.0178(26) 18 C C2 0.15641(5) 0.21256(21) 0.72543(20) 1.0 Uiso 0.0178(26) 18 C C3 0.10655(9) 0.16003(25) 0.7962(4) 1.0 Uiso 0.0178(26) 18 C C4 0.09035(19) 0.10162(22) 0.7330(7) 1.0 Uiso 0.0178(26) 18 C C5 0.12392(24) 0.09541(22) 0.5993(9) 1.0 Uiso 0.0178(26) 18 C C6 0.17401(19) 0.14750(27) 0.5276(7) 1.0 Uiso 0.0178(26) 18 C C7 0.23410(7) 0.30412(22) 0.63203(25) 1.0 Uiso 0.0178(26) 18 C C8 0.18451(7) 0.27751(21) 0.75189(22) 1.0 Uiso 0.0178(26) 18 C C9 0.17447(15) 0.31573(30) 0.8613(5) 1.0 Uiso 0.0178(26) 18 C C10 0.21312(23) 0.37966(28) 0.8540(8) 1.0 Uiso 0.0178(26) 18 C C11 0.26186(23) 0.40574(20) 0.7371(8) 1.0 Uiso 0.0178(26) 18 C C12 0.27240(14) 0.36812(22) 0.6264(5) 1.0 Uiso 0.0178(26) 18 H H3 0.08340(7) 0.1640(4) 0.88782(29) 1.0 Uiso 0.0178(26) 18 H H4 0.05605(22) 0.06568(26) 0.7815(9) 1.0 Uiso 0.0178(26) 18 H H5 0.11253(31) 0.05521(24) 0.5567(11) 1.0 Uiso 0.0178(26) 18 H H6 0.19687(23) 0.1430(4) 0.4360(8) 1.0 Uiso 0.0178(26) 18 H H9 0.14113(15) 0.2981(4) 0.9417(5) 1.0 Uiso 0.0178(26) 18 H H10 0.20619(30) 0.4058(4) 0.9294(10) 1.0 Uiso 0.0178(26) 18 H H11 0.28817(29) 0.44962(20) 0.7328(10) 1.0 Uiso 0.0178(26) 18 H H12 0.30587(14) 0.38624(30) 0.5465(6) 1.0 Uiso 0.0178(26) 18 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 K 18.0 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 N 18.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C C 216.0 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 H 144.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 K1 N1 104.47(20) 1_555 . 202_555 N N1 K1 C7 92.79(13) 1_555 . 202_555 N N1 K1 C9 103.88(17) 1_555 . 202_554 N N1 K1 C9 111.19(21) 1_555 . 205_554 N N1 K1 C10 88.66(16) 1_555 . 205_554 N N1 K1 C11 116.61(20) 1_555 . 103_554 N N1 K1 C12 97.66(15) 1_555 . 103_554 N N1 K1 C7 22.97(4) 202_555 . 202_555 N N1 K1 C9 147.67(17) 202_555 . 202_554 N N1 K1 C9 75.21(16) 202_555 . 205_554 N N1 K1 C10 87.08(20) 202_555 . 205_554 N N1 K1 C11 84.05(13) 202_555 . 103_554 N N1 K1 C12 103.73(15) 202_555 . 103_554 N C7 K1 C9 140.85(18) 202_555 . 202_554 N C7 K1 C9 60.58(14) 202_555 . 205_554 N C7 K1 C10 66.71(18) 202_555 . 205_554 N C7 K1 C11 106.99(14) 202_555 . 103_554 N C7 K1 C12 125.54(16) 202_555 . 103_554 N C9 K1 C9 80.32(13) 202_554 . 205_554 N C9 K1 C10 78.37(16) 202_554 . 205_554 N C9 K1 C11 96.85(15) 202_554 . 103_554 N C9 K1 C12 87.50(13) 202_554 . 103_554 N C9 K1 C10 23.60(5) 205_554 . 205_554 N C9 K1 C11 131.23(16) 205_554 . 103_554 N C9 K1 C12 150.58(17) 205_554 . 103_554 N C10 K1 C11 154.59(15) 205_554 . 103_554 N C10 K1 C12 165.57(22) 205_554 . 103_554 N C11 K1 C12 24.19(4) 103_554 . 103_554 N K1 N1 K1 96.31(18) 1_555 . 103_554 N K1 N1 C1 114.70(26) 1_555 . 1_555 N K1 N1 C2 130.68(21) 1_555 . 1_555 N K1 N1 C6 97.60(25) 1_555 . 1_555 N K1 N1 C7 115.88(18) 1_555 . 1_555 N K1 N1 C8 131.67(12) 1_555 . 1_555 N K1 N1 C12 98.30(23) 1_555 . 1_555 N K1 N1 C1 124.45(15) 103_554 . 1_555 N K1 N1 C2 131.93(11) 103_554 . 1_555 N K1 N1 C6 109.87(20) 103_554 . 1_555 N K1 N1 C7 101.55(23) 103_554 . 1_555 N K1 N1 C8 121.37(20) 103_554 . 1_555 N K1 N1 C12 84.10(22) 103_554 . 1_555 N C1 N1 C7 103.97 1_555 . 1_555 N N1 C1 C2 113.28 1_555 . 1_555 N N1 C1 C6 127.07 1_555 . 1_555 N C2 C1 C6 119.65 1_555 . 1_555 N C1 C2 C3 119.67 1_555 . 1_555 N C1 C2 C8 104.73 1_555 . 1_555 N C1 C2 C9 126.69 1_555 . 1_555 N C3 C2 C8 135.58 1_555 . 1_555 N C2 C3 C4 120.00 1_555 . 1_555 N C3 C4 C5 120.31 1_555 . 1_555 N C4 C5 C6 120.36 1_555 . 1_555 N C1 C6 C5 120.01 1_555 . 1_555 N N1 C7 C8 113.24 1_555 . 1_555 N N1 C7 C12 127.15 1_555 . 1_555 N C8 C7 C12 119.60 1_555 . 1_555 N C2 C8 C7 104.75 1_555 . 1_555 N C2 C8 C9 135.57 1_555 . 1_555 N C7 C8 C9 119.67 1_555 . 1_555 N C8 C9 C10 120.04 1_555 . 1_555 N C9 C10 C11 120.31 1_555 . 1_555 N C10 C11 C12 120.33 1_555 . 1_555 N C7 C12 C11 120.04 1_555 . 1_555 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag K1 N1 2.870(5) . 1_555 N K1 N1 2.892(6) . 202_555 N K1 C7 3.439(5) . 202_555 N K1 C9 3.208(5) . 202_554 N K1 C9 2.998(5) . 205_554 N K1 C10 3.468(6) . 205_554 N K1 C11 3.378(6) . 103_554 N K1 C12 3.293(5) . 103_554 N N1 C1 1.3695 . 1_555 N N1 C7 1.3698 . 1_555 N C1 N1 1.3695 . 1_555 N C1 C2 1.4295 . 1_555 N C1 C6 1.3996 . 1_555 N C2 C1 1.4295 . 1_555 N C2 C3 1.3998 . 1_555 N C2 C8 1.4303 . 1_555 N C3 C2 1.3998 . 1_555 N C3 C4 1.4003 . 1_555 N C3 H3 0.9600 . 1_555 N C4 C3 1.4003 . 1_555 N C4 C5 1.4006 . 1_555 N C4 H4 0.9600 . 1_555 N C5 C4 1.4006 . 1_555 N C5 C6 1.4001 . 1_555 N C5 H5 0.9600 . 1_555 N C6 C1 1.3996 . 1_555 N C6 C5 1.4001 . 1_555 N C6 H6 0.9600 . 1_555 N C7 N1 1.3698 . 1_555 N C7 C8 1.4298 . 1_555 N C7 C12 1.4000 . 1_555 N C8 C2 1.4303 . 1_555 N C8 C7 1.4298 . 1_555 N C8 C9 1.3996 . 1_555 N C9 C8 1.3996 . 1_555 N C9 C10 1.4000 . 1_555 N C9 H9 0.9600 . 1_555 N C10 C9 1.4000 . 1_555 N C10 C11 1.4005 . 1_555 N C10 H10 0.9600 . 1_555 N C11 C10 1.4005 . 1_555 N C11 C12 1.4004 . 1_555 N C11 H11 0.9600 . 1_555 N C12 C7 1.4000 . 1_555 N C12 C11 1.4004 . 1_555 N C12 H12 0.9600 . 1_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 357.0 . . . 337.0 0.001485 336.52844 0.0 349.0 0.001459 336.55688 0.0 351.0 0.001455 336.58533 0.0 340.0 0.001478 336.61377 0.0 333.0 0.001494 336.64221 0.0 327.0 0.001507 336.67065 0.0 334.0 0.001491 336.69910 0.0 354.0 0.001448 336.72754 0.0 348.0 0.001461 336.75598 0.0 365.0 0.001425 336.78442 0.0 334.0 0.001491 336.81290 0.0 370.0 0.001415 336.84134 0.0 360.0 0.001435 336.86978 0.0 339.0 0.001480 336.89822 0.0 345.0 0.001467 336.92667 0.0 348.0 0.001460 336.95511 0.0 331.0 0.001497 336.98355 0.0 363.0 0.001429 337.01199 0.0 356.0 0.001443 337.04044 0.0 317.0 0.001529 337.06888 0.0 326.0 0.001508 337.09732 0.0 347.0 0.001462 337.12576 0.0 359.0 0.001437 337.15421 0.0 329.0 0.001501 337.18265 0.0 352.0 0.001451 337.21109 0.0 312.0 0.001541 337.23953 0.0 333.0 0.001492 337.26797 0.0 332.0 0.001494 337.29642 0.0 322.0 0.001517 337.32486 0.0 325.0 0.001510 337.35330 0.0 312.0 0.001540 337.38177 0.0 362.0 0.001430 337.41022 0.0 350.0 0.001455 337.43866 0.0 330.0 0.001499 337.46710 0.0 321.0 0.001519 337.49554 0.0 306.0 0.001554 337.52399 0.0 331.0 0.001496 337.55243 0.0 334.0 0.001489 337.58087 0.0 362.0 0.001430 337.60931 0.0 355.0 0.001444 337.63776 0.0 362.0 0.001430 337.66620 0.0 341.0 0.001474 337.69464 0.0 317.0 0.001528 337.72308 0.0 334.0 0.001489 337.75153 0.0 343.0 0.001469 337.77997 0.0 359.0 0.001435 337.80841 0.0 324.0 0.001511 337.83685 0.0 333.0 0.001491 337.86530 0.0 342.0 0.001471 337.89374 0.0 345.0 0.001465 337.92218 0.0 347.0 0.001460 337.95065 0.0 336.0 0.001484 337.97910 0.0 369.0 0.001415 338.00754 0.0 367.0 0.001419 338.03598 0.0 325.0 0.001508 338.06442 0.0 358.0 0.001437 338.09286 0.0 341.0 0.001473 338.12131 0.0 321.0 0.001517 338.14975 0.0 366.0 0.001420 338.17819 0.0 382.0 0.001389 338.20663 0.0 345.0 0.001464 338.23508 0.0 317.0 0.001526 338.26352 0.0 326.0 0.001506 338.29196 0.0 370.0 0.001412 338.32040 0.0 341.0 0.001472 338.34885 0.0 351.0 0.001451 338.37729 0.0 351.0 0.001451 338.40573 0.0 339.0 0.001476 338.43417 0.0 331.0 0.001494 338.46262 0.0 348.0 0.001457 338.49106 0.0 341.0 0.001472 338.51950 0.0 331.0 0.001494 338.54797 0.0 342.0 0.001470 338.57642 0.0 335.0 0.001485 338.60486 0.0 355.0 0.001442 338.63330 0.0 304.0 0.001556 338.66174 0.0 374.0 0.001403 338.69019 0.0 319.0 0.001521 338.71863 0.0 325.0 0.001507 338.74707 0.0 356.0 0.001440 338.77551 0.0 359.0 0.001433 338.80396 0.0 359.0 0.001433 338.83240 0.0 390.0 0.001372 338.86084 0.0 372.0 0.001407 338.88928 0.0 337.0 0.001480 338.91772 0.0 339.0 0.001475 338.94617 0.0 374.0 0.001403 338.97461 0.0 350.0 0.001452 339.00305 0.0 356.0 0.001439 339.03149 0.0 334.0 0.001486 339.05994 0.0 336.0 0.001482 339.08838 0.0 353.0 0.001445 339.11685 0.0 336.0 0.001481 339.14529 0.0 340.0 0.001473 339.17374 0.0 348.0 0.001455 339.20218 0.0 361.0 0.001428 339.23062 0.0 347.0 0.001457 339.25906 0.0 354.0 0.001443 339.28751 0.0 323.0 0.001510 339.31595 0.0 342.0 0.001468 339.34439 0.0 365.0 0.001420 339.37283 0.0 314.0 0.001531 339.40128 0.0 319.0 0.001519 339.42972 0.0 333.0 0.001487 339.45816 0.0 344.0 0.001463 339.48660 0.0 333.0 0.001487 339.51505 0.0 358.0 0.001434 339.54349 0.0 331.0 0.001492 339.57193 0.0 297.0 0.001571 339.60037 0.0 378.0 0.001394 339.62881 0.0 317.0 0.001523 339.65726 0.0 344.0 0.001463 339.68570 0.0 373.0 0.001403 339.71417 0.0 315.0 0.001528 339.74261 0.0 344.0 0.001463 339.77106 0.0 344.0 0.001463 339.79950 0.0 330.0 0.001493 339.82794 0.0 349.0 0.001452 339.85638 0.0 356.0 0.001437 339.88483 0.0 361.0 0.001427 339.91327 0.0 328.0 0.001497 339.94171 0.0 359.0 0.001431 339.97015 0.0 350.0 0.001450 339.99860 0.0 304.0 0.001553 340.02704 0.0 369.0 0.001411 340.05548 0.0 362.0 0.001425 340.08392 0.0 359.0 0.001431 340.11237 0.0 370.0 0.001408 340.14081 0.0 357.0 0.001435 340.16925 0.0 351.0 0.001447 340.19769 0.0 370.0 0.001408 340.22614 0.0 369.0 0.001410 340.25458 0.0 357.0 0.001434 340.28305 0.0 338.0 0.001475 340.31149 0.0 341.0 0.001468 340.33994 0.0 356.0 0.001436 340.36838 0.0 337.0 0.001477 340.39682 0.0 360.0 0.001428 340.42526 0.0 359.0 0.001430 340.45370 0.0 338.0 0.001474 340.48215 0.0 309.0 0.001540 340.51059 0.0 336.0 0.001478 340.53903 0.0 356.0 0.001436 340.56747 0.0 356.0 0.001436 340.59592 0.0 382.0 0.001384 340.62436 0.0 350.0 0.001448 340.65280 0.0 334.0 0.001482 340.68124 0.0 365.0 0.001417 340.70969 0.0 340.0 0.001469 340.73813 0.0 348.0 0.001452 340.76657 0.0 346.0 0.001456 340.79501 0.0 347.0 0.001454 340.82346 0.0 346.0 0.001456 340.85193 0.0 362.0 0.001423 340.88037 0.0 355.0 0.001437 340.90881 0.0 374.0 0.001399 340.93726 0.0 353.0 0.001441 340.96570 0.0 345.0 0.001458 340.99414 0.0 371.0 0.001405 341.02258 0.0 350.0 0.001447 341.05103 0.0 332.0 0.001486 341.07947 0.0 335.0 0.001479 341.10791 0.0 366.0 0.001414 341.13635 0.0 357.0 0.001433 341.16479 0.0 360.0 0.001426 341.19324 0.0 356.0 0.001435 341.22168 0.0 399.0 0.001351 341.25012 0.0 335.0 0.001479 341.27856 0.0 341.0 0.001466 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138.27480 46.64706 175.0 0.003193 138.24687 43.51608 171.0 0.003234 138.21896 40.90474 156.0 0.003399 138.19106 38.72325 189.0 0.003057 138.16315 36.87591 165.0 0.003299 138.13522 35.24913 151.0 0.003459 138.10733 33.72618 172.0 0.003225 138.07941 32.20531 173.0 0.003215 138.05150 30.61680 160.0 0.003356 138.02359 28.93200 161.0 0.003345 137.99568 27.16126 165.0 0.003301 137.96777 25.34205 144.0 0.00355 137.93985 23.52376 171.0 0.003237 137.91194 21.75494 174.0 0.003206 137.88403 20.07584 130.0 0.00373 137.85612 18.52573 157.0 0.003392 137.82822 17.10463 139.0 0.00361 137.80029 15.83348 158.0 0.003381 137.77238 14.71744 153.0 0.003440 137.74448 13.75707 134.0 0.00368 137.71657 12.94947 149.0 0.003488 137.68864 12.28879 137.0 0.00364 137.66074 11.76645 136.0 0.00365 137.63283 11.37104 148.0 0.003502 137.60492 11.08773 133.0 0.00370 137.57701 10.91189 138.0 0.00363 137.54909 10.79050 162.0 0.003339 137.52118 10.70733 145.0 0.00354 137.49327 10.62646 141.0 0.00359 137.46536 10.51011 144.0 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133.10001 41.56123 167.0 0.003331 133.10001 41.36152 176.0 0.003234 133.10001 40.50485 168.0 0.003320 133.10001 38.98696 163.0 0.003376 133.10001 36.89369 187.0 0.003123 133.10001 34.37826 169.0 0.003309 133.10001 31.61990 171.0 0.003288 133.10001 28.78589 168.0 0.003320 133.10001 26.01035 175.0 0.003245 133.10001 23.38906 148.0 0.00356 133.10001 20.98382 150.0 0.00353 133.10001 18.83015 148.0 0.00356 133.10001 16.94438 119.0 0.00397 133.10001 15.32939 140.0 0.00366 133.10001 13.97876 147.0 0.00357 133.10001 12.87971 145.0 0.00359 133.10001 12.01534 150.0 0.00353 133.10001 11.36629 128.0 0.00383 133.10001 10.91199 147.0 0.00357 133.10001 10.63139 154.0 0.003482 133.10001 10.50338 121.0 0.00393 133.10001 10.50661 139.0 0.00367 133.10001 10.61884 150.0 0.00353 133.10001 10.81589 136.0 0.00372 133.10001 11.07034 153.0 0.003494 133.10001 11.35059 147.0 0.00357 133.10001 11.62100 170.0 0.003298 133.10001 11.84429 155.0 0.003470 133.10001 11.98647 151.0 0.00352 133.10001 11.99717 139.0 0.00367 133.10001 11.92061 147.0 0.00357 133.10001 11.73964 140.0 0.00366 133.10001 11.47842 159.0 0.003423 133.10001 11.16964 150.0 0.00353 133.10001 10.84756 134.0 0.00374 133.10001 10.54282 126.0 0.00386 133.10001 10.27976 132.0 0.00377 133.10001 10.07577 170.0 0.003298 133.10001 9.94163 150.0 0.00353 133.10001 9.88212 123.0 0.00390 133.10001 9.89656 136.0 0.00372 133.10001 9.97926 146.0 0.00358 133.10001 10.12013 140.0 0.00366 133.10001 10.30585 153.0 0.003494 133.10001 10.52165 131.0 0.00379 133.10001 10.75353 142.0 0.00363 133.10001 10.97014 149.0 0.00354 133.10001 11.20261 129.0 0.00381 133.10001 11.42328 148.0 0.00356 133.10001 11.62214 139.0 0.00367 133.10001 11.78323 157.0 0.003446 133.10001 11.88294 143.0 0.00362 133.10001 11.89229 147.0 0.00357 133.10001 11.78382 158.0 0.003434 133.10001 11.54119 148.0 0.00356 133.10001 11.16664 148.0 0.00356 133.10001 10.68201 150.0 0.00353 133.10001 10.12272 145.0 0.00359 133.10001 9.52869 138.0 0.00369 133.10001 8.93662 144.0 0.00361 133.10001 8.37599 147.0 0.00357 133.10001 7.86835 132.0 0.00377 133.10001 7.42839 126.0 0.00386 133.10001 7.06559 143.0 0.00362 133.10001 6.78566 140.0 0.00366 133.10001 6.60467 142.0 0.00363 133.10001 6.49791 153.0 0.003494 133.10001 6.47811 151.0 0.00352 133.10001 6.54401 142.0 0.00363 133.10001 6.69343 117.0 0.00400 133.10001 6.92327 150.0 0.00353 133.10001 7.22935 133.0 0.00376 133.10001 7.60596 157.0 0.003446 133.10001 8.04525 121.0 0.00393 133.10001 8.53620 154.0 0.003482 133.10001 9.06345 140.0 0.00366 133.10001 9.60618 148.0 0.00356 133.10001 10.13763 150.0 0.00353 133.10001 10.62629 164.0 0.003365 133.10001 11.03945 138.0 0.00369 133.10001 11.34913 164.0 0.003365 133.10001 11.53894 147.0 0.00357 133.10001 11.60894 166.0 0.003343 133.10001 11.57599 151.0 0.00352 133.10001 11.47676 156.0 0.003458 133.10001 11.33148 164.0 0.003365 133.10001 11.18101 164.0 0.003365 133.10001 11.05311 146.0 0.00358 133.10001 10.96764 148.0 0.00356 133.10001 10.93601 136.0 0.00372 133.10001 10.96155 160.0 0.003411 133.10001 11.03996 135.0 0.00373 133.10001 11.15982 152.0 0.003507 133.10001 11.30923 142.0 0.00363 133.10001 11.45412 152.0 0.003507 133.10001 11.58693 137.0 0.00370 133.10001 11.66372 143.0 0.00362 133.10001 11.67988 159.0 0.003423 133.10001 11.63008 131.0 0.00379 133.10001 11.52042 133.0 0.00376 133.10001 11.36714 155.0 0.003470 133.10001 11.19328 129.0 0.00381 133.10001 11.02575 140.0 0.00366 133.10001 10.89237 147.0 0.00357 133.10001 10.82014 142.0 0.00363 133.10001 10.83425 142.0 0.00363 133.10001 10.95718 129.0 0.00381 133.10001 11.20791 119.0 0.00397 133.10001 11.60101 150.0 0.00353 133.10001 12.14558 155.0 0.003470 133.10001 12.84396 154.0 0.003482 133.10001 13.71447 132.0 0.00377 133.10001 14.69105 139.0 0.00367 133.10001 15.76624 172.0 0.003277 133.10001 16.88938 144.0 0.00361 133.10001 17.98720 160.0 0.003411 133.10001 18.96375 144.0 0.00361 133.10001 19.70851 171.0 0.003288 133.10001 20.11601 139.0 0.00367 133.10001 20.11333 143.0 0.00362 133.10001 19.68356 156.0 0.003458 133.10001 18.87114 170.0 0.003298 133.10001 17.76573 136.0 0.00372 133.10001 16.47478 122.0 0.00392 133.10001 15.09930 156.0 0.003458 133.10001 13.72051 146.0 0.00358 133.10001 12.39674 129.0 0.00381 133.10001 11.16615 134.0 0.00374 133.10001 10.05131 131.0 0.00379 133.10001 9.06339 142.0 0.00363 133.10001 8.20556 125.0 0.00387 133.10001 7.47544 127.0 0.00384 133.10001 6.86695 121.0 0.00393 133.10001 6.37176 124.0 0.00389 133.10001 5.98058 112.0 0.00408 133.10001 5.68407 136.0 0.00372 133.10001 5.47369 119.0 0.00397 133.10001 5.34230 125.0 0.00387 133.10001 5.28451 124.0 0.00389 133.10001 5.29689 157.0 0.003446 133.10001 5.37793 129.0 0.00381 133.10001 5.52790 127.0 0.00384 133.10001 5.74852 122.0 0.00392 133.10001 6.04249 125.0 0.00387 133.10001 6.41439 144.0 0.00361 133.10001 6.86457 133.0 0.00376 133.10001 7.39663 159.0 0.003423 133.10001 8.01115 134.0 0.00374 133.10001 8.70601 139.0 0.00367 133.10001 9.47501 127.0 0.00384 133.10001 10.30604 132.0 0.00377 133.10001 11.17881 150.0 0.00353 133.10001 12.06262 155.0 0.003470 133.10001 12.91529 140.0 0.00366 133.10001 13.68533 129.0 0.00381 133.10001 14.31918 129.0 0.00381 133.10001 14.77364 142.0 0.00363 133.10001 15.02934 142.0 0.00363 133.10001 15.09868 149.0 0.00354 133.10001 15.02314 147.0 0.00357 133.08189 14.86161 155.0 0.003471 133.06177 14.67581 122.0 0.00392 133.04163 14.51895 129.0 0.00382 133.02150 14.42960 142.0 0.00364 133.00136 14.42970 139.0 0.00368 132.98123 14.52453 155.0 0.003472 132.96111 14.70336 156.0 0.003460 132.94098 14.94117 169.0 0.003311 132.92085 15.20274 150.0 0.00353 132.90071 15.45066 158.0 0.003437 132.88058 15.65633 132.0 0.00377 132.86044 15.80990 141.0 0.00365 132.84032 15.92357 139.0 0.00368 132.82019 16.02622 130.0 0.00380 132.80005 16.15263 131.0 0.00379 132.77992 16.33286 141.0 0.00365 132.75980 16.58509 143.0 0.00363 132.73967 16.91225 166.0 0.003347 132.71953 17.30117 148.0 0.00356 132.69940 17.72325 141.0 0.00365 132.67926 18.13700 171.0 0.003292 132.65913 18.49349 142.0 0.00364 132.63901 18.74521 161.0 0.003405 132.61888 18.85698 139.0 0.00368 132.59875 18.81553 163.0 0.003382 132.57861 18.63364 140.0 0.00367 132.55849 18.34686 143.0 0.00363 132.53835 18.00463 157.0 0.003453 132.51822 17.65986 154.0 0.003490 132.49809 17.35606 141.0 0.00366 132.47795 17.14156 137.0 0.00371 132.45782 17.03968 136.0 0.00372 132.43770 17.06806 127.0 0.00385 132.41757 17.23486 126.0 0.00387 132.39743 17.53964 153.0 0.003503 132.37730 17.94997 148.0 0.00357 132.35716 18.49697 149.0 0.00355 132.33704 19.13169 127.0 0.00386 132.31691 19.82078 144.0 0.00362 132.29678 20.52266 157.0 0.003456 132.27664 21.18833 170.0 0.003308 132.25652 21.76331 162.0 0.003398 132.23639 22.19167 161.0 0.003410 132.21625 22.42241 152.0 0.00352 132.19612 22.41754 167.0 0.003342 132.17599 22.15975 157.0 0.003458 132.15585 21.65658 129.0 0.00383 132.13573 20.93926 138.0 0.00370 132.11560 20.05634 149.0 0.00356 132.09547 19.06459 136.0 0.00373 132.07533 18.02018 155.0 0.003483 132.05521 16.97230 151.0 0.00353 132.03506 15.95975 129.0 0.00383 132.01494 15.00997 125.0 0.00389 131.99481 14.13940 131.0 0.00380 131.97469 13.35444 125.0 0.00389 131.95454 12.65224 141.0 0.00366 131.93442 12.02147 144.0 0.00362 131.91429 11.44353 137.0 0.00372 131.89415 10.89508 135.0 0.00375 131.87402 10.35246 158.0 0.003449 131.85390 9.79742 135.0 0.00375 131.83376 9.22180 143.0 0.00364 131.81363 8.62887 135.0 0.00375 131.79350 8.03041 113.0 0.00408 131.77336 7.44177 146.0 0.00360 131.75323 6.87742 131.0 0.00381 131.73311 6.34839 133.0 0.00378 131.71297 5.86177 145.0 0.00361 131.69284 5.42121 143.0 0.00364 131.67271 5.02780 129.0 0.00384 131.65259 4.68086 148.0 0.00358 131.63245 4.37858 146.0 0.00360 131.61232 4.11848 126.0 0.00388 131.59219 3.89769 147.0 0.00359 131.57205 3.71319 134.0 0.00377 131.55193 3.56198 125.0 0.00390 131.53180 3.44121 126.0 0.00388 131.51167 3.34826 126.0 0.00388 131.49153 3.28079 144.0 0.00363 131.47141 3.23676 150.0 0.00355 131.45126 3.21442 130.0 0.00382 131.43114 3.21225 126.0 0.00388 131.41101 3.22888 103.0 0.00427 131.39087 3.26299 133.0 0.00378 131.37074 3.31316 143.0 0.00364 131.35062 3.37772 128.0 0.00386 131.33049 3.45453 143.0 0.00364 131.31035 3.54074 144.0 0.00363 131.29022 3.63258 116.0 0.00404 131.27008 3.72517 127.0 0.00387 131.24995 3.81254 136.0 0.00374 131.22983 3.88785 136.0 0.00374 131.20970 3.94406 128.0 0.00386 131.18958 3.97488 139.0 0.00370 131.16943 3.97594 125.0 0.00390 131.14931 3.94567 127.0 0.00387 131.12917 3.88573 123.0 0.00393 131.10904 3.80063 146.0 0.00361 131.08891 3.69683 133.0 0.00379 131.06877 3.58166 136.0 0.00374 131.04865 3.46230 124.0 0.00392 131.02852 3.34515 127.0 0.00388 131.00839 3.23558 123.0 0.00394 130.98825 3.13784 134.0 0.00377 130.96812 3.05529 152.0 0.00353 130.94798 2.99055 134.0 0.00377 130.92786 2.94566 167.0 0.003356 130.90773 2.92226 129.0 0.00385 130.88760 2.92164 140.0 0.00369 130.86748 2.94481 121.0 0.00397 130.84734 2.99250 120.0 0.00399 130.82721 3.06510 124.0 0.00392 130.80707 3.16261 141.0 0.00368 130.78694 3.28454 127.0 0.00388 130.76682 3.42966 152.0 0.00354 130.74667 3.59583 132.0 0.00381 130.72655 3.77958 136.0 0.00375 130.70642 3.97571 128.0 0.00387 130.68629 4.17680 123.0 0.00394 130.66615 4.37295 118.0 0.00402 130.64603 4.55185 118.0 0.00402 130.62589 4.69963 148.0 0.00359 130.60576 4.80268 120.0 0.00399 130.58563 4.85019 130.0 0.00384 130.56551 4.83660 147.0 0.00360 130.54538 4.76307 134.0 0.00378 130.52524 4.63710 131.0 0.00382 130.50511 4.47061 128.0 0.00387 130.48497 4.27728 141.0 0.00368 130.46484 4.07025 127.0 0.00388 130.44472 3.86067 131.0 0.00382 130.42458 3.65718 129.0 0.00385 130.40445 3.46599 154.0 0.00352 130.38432 3.27359 132.0 0.00381 130.36420 3.11824 131.0 0.00383 130.34406 2.98372 138.0 0.00373 130.32393 2.87094 139.0 0.00371 130.30379 2.78043 135.0 0.00377 130.28366 2.71250 137.0 0.00374 130.26353 2.66749 144.0 0.00365 130.24341 2.64592 135.0 0.00377 130.22328 2.64859 171.0 0.003320 130.20314 2.67672 133.0 0.00380 130.18301 2.73198 118.0 0.00403 130.16287 2.81656 136.0 0.00376 130.14275 2.93309 129.0 0.00386 130.12262 3.08457 127.0 0.00389 130.10248 3.27416 125.0 0.00392 130.08235 3.50502 123.0 0.00395 130.06223 3.77995 118.0 0.00403 130.04210 4.10100 137.0 0.00374 130.02196 4.46905 135.0 0.00377 130.00183 4.88316 149.0 0.00358 129.98169 5.33983 125.0 0.00392 129.96156 5.83185 152.0 0.00355 129.94144 6.34698 141.0 0.00369 129.92131 6.86631 139.0 0.00372 129.90118 7.36316 135.0 0.00377 129.88104 7.80346 115.0 0.00408 129.86092 8.14920 137.0 0.00375 129.84077 8.36565 154.0 0.00352 129.82065 8.43069 139.0 0.00372 129.80052 8.34209 158.0 0.003475 129.78038 8.11833 133.0 0.00381 129.76025 7.79258 131.0 0.00383 129.74013 7.40341 130.0 0.00385 129.72000 6.98684 117.0 0.00405 129.69986 6.57206 143.0 0.00367 129.67973 6.18040 140.0 0.00371 129.65959 5.82636 168.0 0.003359 129.63947 5.51912 135.0 0.00378 129.61934 5.26410 124.0 0.00394 129.59921 5.06412 142.0 0.00368 129.57909 4.92036 144.0 0.00366 129.55894 4.83303 138.0 0.00374 129.53882 4.80196 128.0 0.00388 129.51868 4.82711 143.0 0.00367 129.49855 4.90889 129.0 0.00387 129.47842 5.04855 126.0 0.00391 129.45828 5.24835 128.0 0.00388 129.43816 5.51167 133.0 0.00381 129.41803 5.84303 134.0 0.00380 129.39790 6.24791 136.0 0.00377 129.37776 6.73258 122.0 0.00398 129.35764 7.30373 149.0 0.00359 129.33749 7.94909 148.0 0.00361 129.31737 8.71278 136.0 0.00377 129.29724 9.58065 144.0 0.00366 129.27711 10.55553 145.0 0.00365 129.25697 11.63701 126.0 0.00392 129.23685 12.81986 155.0 0.00352 129.21672 14.09191 132.0 0.00383 129.19658 15.43145 166.0 0.003388 129.17645 16.80483 144.0 0.00366 129.15633 18.16554 144.0 0.00366 129.13620 19.45697 124.0 0.00395 129.11606 20.62085 137.0 0.00376 129.09593 21.61107 131.0 0.00384 129.07581 22.40878 160.0 0.003459 129.05566 23.03147 148.0 0.00361 129.03554 23.53093 149.0 0.00360 129.01540 23.98062 148.0 0.00361 128.99527 24.45903 146.0 0.00364 128.97514 25.03545 154.0 0.00353 128.95502 25.76120 156.0 0.00351 128.93488 26.66556 169.0 . . . 153.0 . . . 148.0 . . . 169.0 . . . 152.0 . . . 155.0 . . . 178.0 . . . 169.0 . . . 165.0 . . . 177.0 . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 1 0 o 32642.643 30772.578 -180.00 12.54134 100.00 3 0 0 o 4331.854 7644.637 90.65 7.24074 4.48 2 2 0 o -27.463 2287.800 0.00 6.27067 0.00 2 1 1 o 23548.676 25022.379 140.70 5.66840 27.73 4 1 0 o 2241.924 2671.790 -144.77 4.74018 1.95 3 1 -1 o 24231.918 23038.373 64.21 4.77608 20.17 3 3 0 o 74240.09 70272.88 -180.00 4.18045 23.94 3 2 1 o 52575.73 54432.68 177.41 4.20501 34.29 1 0 -2 o 63575.23 66766.61 -109.07 3.85556 17.35 2 0 2 o 88833.24 84957.93 -85.73 3.68534 22.28 6 0 0 o 38553.02 38604.69 124.35 3.62037 9.48 4 2 -1 o 50393.45 48951.00 91.31 3.63629 24.43 2 1 -2 o 5782.851 5695.686 -160.77 3.53584 2.55 5 2 0 o 24747.281 24930.094 -29.95 3.47834 11.22 5 1 1 o 623.198 524.673 125.41 3.49245 0.26 3 1 2 o 5745.385 6290.145 27.97 3.28439 2.29 4 3 1 o 66187.73 63194.81 -84.99 3.24953 25.38 4 0 -2 o 83766.63 79378.97 -66.33 3.17725 15.03 4 4 0 o 8542.799 7387.588 180.00 3.13533 1.54 3 2 -2 o 64447.16 63392.01 144.40 3.07995 21.94 6 1 -1 o 12330.924 15211.536 -18.68 3.05114 4.24 5 3 -1 o 60241.84 57391.13 21.08 2.88515 17.67 5 0 2 o 74058.66 68765.85 -89.55 2.90947 11.35 7 1 0 o 14543.899 14184.139 -73.49 2.87718 4.35 6 2 1 o 30499.119 34019.074 63.14 2.81171 8.68 4 2 2 o 54921.00 56436.02 23.54 2.83420 15.70 6 3 0 o 9540.889 8031.152 129.88 2.73674 2.60 5 1 -2 o 12786.213 11669.863 -51.18 2.76448 3.50 4 3 -2 o 31218.559 29452.799 119.48 2.63922 7.53 5 4 1 o 2012.598 3015.799 -147.07 2.62103 0.52 1 1 3 o 38989.09 36319.11 134.04 2.55698 9.04 7 2 -1 o 1506.739 3391.282 -136.65 2.51354 0.36 6 1 2 o 185.979 462.686 45.22 2.52957 0.05 5 5 0 o 9299.123 16525.602 0.00 2.50827 1.10 8 1 1 o 9934.169 10703.247 -150.59 2.41828 2.12 5 3 2 o 917.922 1094.691 -139.78 2.43255 0.21 7 0 -2 o 19111.344 22536.246 120.20 2.43255 2.02 9 0 0 o 28218.738 27960.797 132.00 2.41358 2.86 2 2 3 o 4176.243 3860.531 -14.69 2.41106 0.85 6 4 -1 o 2007.000 1931.583 97.90 2.37454 0.39 8 2 0 o 10225.332 9076.802 14.50 2.37009 1.98 6 2 -2 o 6661.670 6981.621 -111.72 2.38804 1.35 7 3 1 o 18981.250 16703.229 -43.43 2.33309 3.63 4 1 3 o 2596.060 2253.321 -130.54 2.28757 0.48 4 1 -3 o 3110.861 2701.622 -164.41 2.28757 0.58 7 4 0 o 5645.935 5977.704 175.95 2.25249 1.00 5 4 -2 o 21521.268 18633.158 31.76 2.26788 3.78 8 0 2 o 13398.544 11889.177 -0.02 2.23169 1.14 6 5 1 o 1899.494 1637.571 156.58 2.18664 0.30 9 1 -1 o 38093.23 32708.256 84.68 2.18664 6.20 3 3 3 o 4756.750 3599.117 100.81 2.21506 0.82 7 2 2 o 4670.540 5658.415 -168.98 2.19717 0.75 8 3 -1 o 6348.762 6099.437 -80.82 2.12305 0.96 8 1 -2 o 23586.049 18854.877 -45.82 2.13269 3.58 6 6 0 o 346.056 328.401 0.00 2.09022 0.03 6 4 2 o 15824.394 16178.183 109.31 2.10250 2.28 9 2 1 o 16731.221 14463.560 19.09 2.06471 2.35 10 1 0 o 13118.535 10395.128 -61.78 2.06178 1.84 5 2 -3 o 28796.061 27141.164 -30.07 2.08859 4.18 5 2 3 o 11427.730 10761.581 73.76 2.08859 1.68 7 3 -2 o 10888.109 9388.944 96.32 2.07357 1.59 7 5 -1 o 107.572 95.022 -58.25 2.01093 0.02 9 3 0 o 12616.884 11599.782 6.87 2.00822 1.67 4 4 3 o 62479.11 57848.02 -27.56 2.00677 8.30 8 4 1 o 6033.272 8727.728 140.39 1.98556 0.86 6 5 -2 o 4461.574 4034.796 -111.21 1.96872 0.62 9 1 2 o 17730.949 16176.037 -179.21 1.96872 2.26 1 0 4 o 9806.402 9581.783 25.20 1.95097 0.60 2 0 -4 o 6929.029 9426.969 -121.61 1.92778 0.45 8 5 0 o 7302.061 10957.708 124.45 1.91254 0.91 8 3 2 o 4996.518 7908.451 27.01 1.92193 0.63 7 1 -3 o 14035.260 15216.391 175.90 1.93387 1.78 7 1 3 o 16347.894 17704.756 -148.20 1.93387 2.04 10 2 -1 o 10893.151 12309.451 -130.27 1.89293 1.32 2 1 4 o 95.401 190.785 -155.10 1.90540 0.01 10 0 -2 o 8252.783 10892.366 120.98 1.89975 0.50 7 6 1 o 12422.940 15774.994 -39.79 1.87173 1.44 9 2 -2 o 31959.949 34508.355 -127.35 1.87832 3.69 6 3 3 o 6438.982 7122.727 140.39 1.88947 0.79 6 3 -3 o 8107.189 8866.421 -84.72 1.88947 0.87 3 1 -4 o 11893.134 15404.479 74.17 1.86289 1.36 9 4 -1 o 4503.595 3860.023 138.48 1.83139 0.50 11 1 1 o 1002.755 866.092 166.82 1.83139 0.11 4 0 4 o 5948.768 4463.010 22.64 1.84267 0.32 7 5 2 o 356.032 357.892 -50.61 1.83756 0.05 3 2 4 o 6853.128 5225.475 -170.62 1.82310 0.75 12 0 0 o 7971.775 8895.142 12.73 1.81019 0.42 8 4 -2 o 11888.938 8938.716 62.31 1.81815 1.26 10 3 1 o 9626.376 11195.104 -40.77 1.79354 1.01 11 2 0 o 18533.785 21440.883 130.44 1.79162 1.95 7 7 0 o 9549.944 10985.021 180.00 1.79162 0.48 5 5 3 o 1982.762 2297.754 96.83 1.80912 0.20 5 0 -4 o 24897.850 29998.879 -139.45 1.78575 1.31 4 2 -4 o 10857.227 10754.502 -7.41 1.76792 1.10 11 0 2 o 50263.61 45198.07 47.35 1.76340 2.51 10 4 0 o 357.245 486.546 -31.85 1.73917 0.04 8 6 -1 o 438.508 505.225 -99.56 1.74093 0.06 5 1 4 o 1852.967 2234.058 63.96 1.75061 0.19 10 2 2 o 9099.612 9273.189 -112.24 1.74623 0.90 8 2 -3 o 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