#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:04:12 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1179 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000007.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_4000007 loop_ _publ_author_name 'Turrina, Alessandro' 'Garcia, Raquel' 'Cox, Paul A.' 'Casci, John L.' 'Wright, Paul A.' _publ_section_title ; Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves ; _journal_issue 14 _journal_name_full 'Chemistry of Materials' _journal_page_first 4998 _journal_page_last 5012 _journal_paper_doi 10.1021/acs.chemmater.6b01676 _journal_volume 28 _journal_year 2016 _chemical_formula_moiety 'Al24 P18 Si6 O96' _chemical_formula_sum 'Al O4 P0.75 Si0.25' _chemical_formula_weight 121.23 _chemical_name_common 'SAPO-56 calcined dehydrated(trimethylamine,diDABCO-C4)' _space_group_IT_number 163 _space_group_name_Hall '-P 3 2c' _space_group_name_H-M_alt 'P -3 1 c' _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-P 3 2c' _symmetry_space_group_name_H-M 'P -3 1 c' _audit_creation_date 2015-02-08T16:20 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2015-02-08T16:20 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 24 _cell_length_a 13.75940(31) _cell_length_b 13.7594 _cell_length_c 19.7610(10) _cell_measurement_temperature 295 _cell_volume 3239.95(18) _computing_structure_refinement GSAS _diffrn_ambient_temperature 295 _diffrn_detector 'Linear PSD' _diffrn_radiation_polarisn_ratio 0.55 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 1.54056 _diffrn_source X-ray _exptl_absorpt_coefficient_mu 5.251 _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 1.491 _exptl_crystal_F_000 1434.0 _pd_block_id 2015-02-08T16:20|SAPO-56_calcined_(diDABCO-C4)|A_Turrina|Stoe_STADI_P _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01 _pd_meas_2theta_range_max 79.99 _pd_meas_2theta_range_min 3.0 _pd_meas_number_of_points 7700 _pd_phase_name 'from C:/gsas/PhD/SAPO-AFX/C4_calc_S763/SAPO-56.cif' _pd_proc_2theta_range_inc 0.01 _pd_proc_2theta_range_max 79.99 _pd_proc_2theta_range_min 3.0 _pd_proc_info_datetime 2015-02-08T16:20:16 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 32 terms. Shifted Chebyshev function of 1st kind 1: 466.392 2: -314.389 3: 129.075 4: -9.49031 5: 5.32373 6: -93.8336 7: 127.098 8: -78.9389 9: 30.7499 10: 0.718225 11: 16.6162 12: -39.4733 13: 45.8169 14: -35.7893 15: 11.8680 16: 5.11999 17: -10.3148 18: 0.225960 19: 6.36327 20: -13.7139 21: 6.36103 22: 8.37524 23: -11.1036 24: 4.20066 25: 5.06965 26: -7.23310 27: 6.91511 28: -1.15767 29: -0.505350 30: -0.579267 31: -3.98019 32: 5.984900E-02 ; _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) = 181.418 #2(GV) = 183.437 #3(GW) = -8.805 #4(GP) = 5.922 #5(LX) = 12.444 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = -3.5433 #9(sfec) = 0.00 #10(S/L) = 0.0226 #11(H/L) = 0.0222 #12(eta) = 0.0000 #13(S400 ) = 0.0E+00 #14(S004 ) = 2.2E-02 #15(S202 ) = -9.2E-03 #16(S211 ) = 1.5E-02 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 0.0472 _pd_proc_ls_prof_wR_expected 0.0409 _pd_proc_ls_prof_wR_factor 0.0598 _pd_proc_number_of_points 7700 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.55 _refine_ls_matrix_type full _refine_ls_number_parameters 44 _refine_ls_number_restraints 40 _refine_ls_R_Fsqd_factor 0.15609 _refine_ls_shift/su_max 0.05 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.201 _reflns_d_resolution_low 11.916 _reflns_limit_h_max 10 _reflns_limit_h_min 0 _reflns_limit_k_max 6 _reflns_limit_k_min 0 _reflns_limit_l_max 17 _reflns_limit_l_min -16 _reflns_number_total 666 _cod_data_source_file cm6b01676_si_001.cif _cod_data_source_block SAPO-56(C4)_calcined_publ _cod_original_cell_volume 3239.95(17) _cod_database_code 4000007 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -y,x-y,+z 3 y-x,-x,+z 4 +y,+x,+z+1/2 5 -x,y-x,+z+1/2 6 x-y,-y,+z+1/2 -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z -4 -y,-x,-z+1/2 -5 +x,x-y,-z+1/2 -6 y-x,+y,-z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Al AL1 0.0076(6) 0.2299(5) 0.0753(4) 1.0 Uiso 0.0218(7) 12 Al AL2 0.3266(5) 0.4314(6) 0.1741(4) 1.0 Uiso 0.0218(7) 12 P P1 0.10608(31) 0.44279(31) 0.16824(31) 0.75 Uiso 0.0218(7) 12 P P2 0.22761(34) 0.22017(34) 0.08322(34) 0.75 Uiso 0.0218(7) 12 O O1 -0.1161(4) 0.1194(5) 0.1015(4) 1.0 Uiso 0.0246(15) 12 O O2 0.1083(4) 0.1957(6) 0.0959(4) 1.0 Uiso 0.0246(15) 12 O O3 0.0287(7) 0.3479(6) 0.1207(5) 1.0 Uiso 0.0246(15) 12 O O4 0.0084(11) 0.2607(8) -0.00957(31) 1.0 Uiso 0.0246(15) 12 O O5 0.2249(4) 0.4651(6) 0.1542(5) 1.0 Uiso 0.0246(15) 12 O O6 0.0944(8) 0.5475(6) 0.1515(5) 1.0 Uiso 0.0246(15) 12 O O7 0.0786(9) 0.4083(8) 0.24073(26) 1.0 Uiso 0.0246(15) 12 O O8 0.3023(5) 0.3083(6) 0.1337(4) 1.0 Uiso 0.0246(15) 12 Si Si1 0.10608(31) 0.44279(31) 0.16824(31) 0.25 Uiso 0.0218(7) 12 Si Si2 0.22761(34) 0.22017(34) 0.08322(34) 0.25 Uiso 0.0218(7) 12 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Al 24.0 0.000 0.000 6.42020 3.03870 1.90020 0.74260 1.59360 31.5472 1.96460 85.0886 1.11510 International_Tables_Vol_C P 18.0 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080 68.1645 1.11490 International_Tables_Vol_C O 96.0 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 Si 6.0 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 AL1 O2 105.4(4) 1_555 . 1_555 N O1 AL1 O3 107.6(5) 1_555 . 1_555 N O1 AL1 O4 113.3(6) 1_555 . 1_555 N O2 AL1 O3 110.5(5) 1_555 . 1_555 N O2 AL1 O4 113.0(6) 1_555 . 1_555 N O3 AL1 O4 107.0(5) 1_555 . 1_555 N O5 AL2 O6 105.6(6) 1_555 . 2_665 N O5 AL2 O7 111.8(5) 1_555 . -6_556 N O5 AL2 O8 111.6(5) 1_555 . 1_555 N O6 AL2 O7 108.5(5) 2_665 . -6_556 N O6 AL2 O8 113.1(5) 2_665 . 1_555 N O7 AL2 O8 106.2(5) -6_556 . 1_555 N O3 P1 O5 106.1(5) 1_555 . 1_555 N O3 P1 O6 108.0(5) 1_555 . 1_555 N O3 P1 O7 111.1(4) 1_555 . 1_555 N O5 P1 O6 111.6(4) 1_555 . 1_555 N O5 P1 O7 108.2(5) 1_555 . 1_555 N O6 P1 O7 111.6(4) 1_555 . 1_555 N O1 P2 O2 109.1(4) 3_555 . 1_555 N O1 P2 O4 110.2(7) 3_555 . -2_555 N O1 P2 O8 104.9(6) 3_555 . 1_555 N O2 P2 O4 110.8(7) 1_555 . -2_555 N O2 P2 O8 107.2(5) 1_555 . 1_555 N O4 P2 O8 114.5(5) -2_555 . 1_555 N AL1 O1 P2 147.4(6) 1_555 . 2_555 N AL1 O1 Si2 147.4(6) 1_555 . 2_555 N P2 O1 Si2 0.0 2_555 . 2_555 N AL1 O2 P2 145.8(6) 1_555 . 1_555 N AL1 O2 Si2 145.8(6) 1_555 . 1_555 N P2 O2 Si2 0.0 1_555 . 1_555 N AL1 O3 P1 146.3(6) 1_555 . 1_555 N AL1 O3 Si1 146.3(6) 1_555 . 1_555 N P1 O3 Si1 0.0 1_555 . 1_555 N AL1 O4 P2 148.9(7) 1_555 . -3_555 N AL1 O4 Si2 148.9(7) 1_555 . -3_555 N P2 O4 Si2 0.0 -3_555 . -3_555 N AL2 O5 P1 146.5(6) 1_555 . 1_555 N AL2 O5 Si1 146.5(6) 1_555 . 1_555 N P1 O5 Si1 0.0 1_555 . 1_555 N AL2 O6 P1 151.2(7) 3_565 . 1_555 N AL2 O6 Si1 151.2(7) 3_565 . 1_555 N P1 O6 Si1 0.0 1_555 . 1_555 N AL2 O7 P1 152.0(7) -6_555 . 1_555 N AL2 O7 Si1 152.0(7) -6_556 . 1_555 N P1 O7 Si1 0.0 1_555 . 1_555 N AL2 O8 P2 143.6(4) 1_555 . 1_555 N AL2 O8 Si2 143.6(4) 1_555 . 1_555 N P2 O8 Si2 0.0 1_555 . 1_555 N O3 Si1 O5 106.1(5) 1_555 . 1_555 N O3 Si1 O6 108.0(5) 1_555 . 1_555 N O3 Si1 O7 111.1(4) 1_555 . 1_555 N O5 Si1 O6 111.6(4) 1_555 . 1_555 N O5 Si1 O7 108.2(5) 1_555 . 1_555 N O6 Si1 O7 111.6(4) 1_555 . 1_555 N O1 Si2 O2 109.1(4) 3_555 . 1_555 N O1 Si2 O4 110.2(7) 3_555 . -2_555 N O1 Si2 O8 104.9(6) 3_555 . 1_555 N O2 Si2 O4 110.8(7) 1_555 . -2_555 N O2 Si2 O8 107.2(5) 1_555 . 1_555 N O4 Si2 O8 114.5(5) -2_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 AL1 O1 1.700(7) . 1_555 N AL1 O2 1.720(7) . 1_555 N AL1 O3 1.747(7) . 1_555 N AL1 O4 1.728(6) . 1_555 N AL1 Si2 3.100(7) . 1_555 N AL1 Si2 3.103(7) . 2_555 N AL2 O5 1.725(6) . 1_555 N AL2 O6 1.724(8) . 2_665 N AL2 O7 1.717(7) . -6_555 N AL2 O8 1.748(7) . 1_555 N AL2 Si1 3.118(6) . 1_555 N AL2 Si1 3.119(8) . -6_555 N AL2 Si2 3.094(9) . 1_555 N P1 O3 1.527(7) . 1_555 N P1 O5 1.531(5) . 1_555 N P1 O6 1.563(5) . 1_555 N P1 O7 1.497(5) . 1_555 N P2 O1 1.532(5) . 3_555 N P2 O2 1.523(5) . 1_555 N P2 O4 1.523(7) . -2_555 N P2 O8 1.508(7) . 1_555 N O1 AL1 1.700(7) . 1_555 N O1 P2 1.532(5) . 2_555 N O1 Si2 1.532(5) . 2_555 N O2 AL1 1.720(7) . 1_555 N O2 P2 1.523(5) . 1_555 N O2 Si2 1.523(5) . 1_555 N O3 AL1 1.747(7) . 1_555 N O3 P1 1.527(7) . 1_555 N O3 Si1 1.527(7) . 1_555 N O4 AL1 1.728(6) . 1_555 N O4 P2 1.523(7) . -3_555 N O4 Si2 1.523(7) . -3_555 N O5 AL2 1.725(6) . 1_555 N O5 P1 1.531(5) . 1_555 N O5 Si1 1.531(5) . 1_555 N O6 AL2 1.724(8) . 3_565 N O6 P1 1.563(5) . 1_555 N O6 Si1 1.563(5) . 1_555 N O7 AL2 1.717(7) . -6_555 N O7 P1 1.497(5) . 1_555 N O7 Si1 1.497(5) . 1_555 N O8 AL2 1.748(7) . 1_555 N O8 P2 1.508(7) . 1_555 N O8 Si2 1.508(7) . 1_555 N Si1 AL2 3.118(6) . 1_555 N Si1 AL2 3.119(8) . -6_555 N Si1 O3 1.527(7) . 1_555 N Si1 O5 1.531(5) . 1_555 N Si1 O6 1.563(5) . 1_555 N Si1 O7 1.497(5) . 1_555 N Si2 AL1 3.100(7) . 1_555 N Si2 AL1 3.103(7) . 3_555 N Si2 AL2 3.094(9) . 1_555 N Si2 O1 1.532(5) . 3_555 N Si2 O2 1.523(5) . 1_555 N Si2 O4 1.523(7) . -2_555 N Si2 O8 1.508(7) . 1_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 2163.0 0.0 2136.18579 . 2204.0 0.0 2117.31982 . 2151.0 0.0 2098.65283 . 2070.0 0.0 2080.18262 . 2085.0 0.0 2061.91089 . 2040.0 0.0 2043.83643 . 1956.0 0.0 2025.95813 . 2055.0 0.0 2008.27686 . 2007.0 0.0 1990.79089 . 2017.0 0.0 1973.49902 . 1926.0 0.0 1956.40173 . 1881.0 0.0 1939.49768 . 1943.0 0.0 1922.78540 . 1890.0 0.0 1906.26453 . 1918.0 0.0 1889.93579 . 1944.0 0.0 1873.79468 . 1837.0 0.0 1857.84314 . 1835.0 0.0 1842.07800 . 1848.0 0.0 1826.49976 . 1818.0 0.0 1811.10632 . 1794.0 0.0 1795.89539 . 1756.0 0.0 1780.86780 . 1826.0 0.0 1766.02185 . 1773.0 0.0 1751.35559 . 1759.0 0.0 1736.86621 . 1807.0 0.0 1722.55603 . 1733.0 0.0 1708.42017 . 1709.0 0.0 1694.45898 . 1625.0 0.0 1680.67053 . 1724.0 0.0 1667.05396 . 1692.0 0.0 1653.60632 . 1671.0 0.0 1640.32715 . 1643.0 0.0 1627.21545 . 1681.0 0.0 1614.26770 . 1616.0 0.0 1601.48450 . 1614.0 0.0 1588.86377 . 1596.0 0.0 1576.40295 . 1631.0 0.0 1564.10083 . 1500.0 0.0 1551.95605 . 1597.0 0.0 1539.96704 . 1585.0 0.0 1528.13281 . 1560.0 0.0 1516.45020 . 1495.0 0.0 1504.91821 . 1568.0 0.0 1493.53564 . 1470.0 0.0 1482.30078 . 1485.0 0.0 1471.21094 . 1436.0 0.0 1460.26526 . 1475.0 0.0 1449.46289 . 1433.0 0.0 1438.80090 . 1463.0 0.0 1428.27795 . 1386.0 0.0 1417.89319 . 1393.0 0.000718 1407.64392 1409.17871 1394.0 0.000717 1397.52869 1399.07153 1415.0 0.000707 1387.54651 1389.09741 1431.0 0.000699 1377.69482 1379.25378 1380.0 0.000725 1367.97278 1369.54004 1415.0 0.000707 1358.37842 1359.95386 1296.0 0.000772 1348.91052 1350.49438 1372.0 0.000729 1339.56677 1341.15894 1351.0 0.000740 1330.34558 1331.94629 1349.0 0.000741 1321.24597 1322.85522 1338.0 0.000747 1312.26599 1313.88379 1357.0 0.000737 1303.40417 1305.03064 1280.0 0.000781 1294.65845 1296.29370 1244.0 0.000804 1286.02795 1287.67200 1282.0 0.000780 1277.51074 1279.16370 1270.0 0.000787 1269.10571 1270.76758 1231.0 0.000812 1260.81079 1262.48169 1231.0 0.000812 1252.62451 1254.30457 1212.0 0.000825 1244.54553 1246.23474 1293.0 0.000773 1236.57263 1238.27112 1229.0 0.000814 1228.70386 1230.41162 1308.0 0.000765 1220.93799 1222.65515 1255.0 0.000797 1213.27319 1214.99988 1269.0 0.000788 1205.70874 1207.44495 1213.0 0.000824 1198.24219 1199.98804 1242.0 0.000805 1190.87280 1192.62842 1166.0 0.000858 1183.59937 1185.36475 1231.0 0.000812 1176.42017 1178.19543 1195.0 0.000837 1169.33350 1171.11877 1184.0 0.000845 1162.33838 1164.13367 1125.0 0.000889 1155.43347 1157.23889 1153.0 0.000867 1148.61731 1150.43298 1184.0 0.000845 1141.88879 1143.71484 1187.0 0.000842 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980.0 0.001020 984.09473 986.24945 1000.0 0.001000 979.39490 981.56299 944.0 0.001059 974.74945 976.93097 902.0 0.001109 970.15826 972.35339 898.0 0.001114 965.62000 967.82886 972.0 0.001029 961.13409 963.35681 954.0 0.001048 956.69946 958.93616 884.0 0.001131 952.31598 954.56793 948.0 0.001055 947.98199 950.24817 887.0 0.001127 943.69751 945.97809 931.0 0.001074 939.46118 941.75629 872.0 0.001147 935.27258 937.58234 915.0 0.001093 931.13062 933.45514 927.0 0.001079 927.03516 929.37463 972.0 0.001029 922.98486 925.33948 975.0 0.001026 918.97949 921.34937 921.0 0.001086 915.01843 917.40369 887.0 0.001127 911.10077 913.50159 864.0 0.001157 907.22607 909.64258 915.0 0.001093 903.39331 905.82562 918.0 0.001089 899.60223 902.05054 898.0 0.001114 895.85205 898.31653 895.0 0.001117 892.14240 894.62317 905.0 0.001105 888.47241 890.96967 849.0 0.001178 884.84167 887.35559 860.0 0.001163 881.24921 883.77991 888.0 0.001126 877.69507 880.24286 917.0 0.001091 874.17853 876.74347 880.0 0.001136 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307.90640 344.0 0.002907 239.70616 308.93970 339.0 0.002950 239.60225 309.89188 355.0 0.002817 239.50113 310.73514 307.0 0.003257 239.40282 311.44101 353.0 0.002833 239.30739 311.98203 308.0 0.003247 239.21474 312.33188 307.0 0.003257 239.12497 312.47012 333.0 0.003003 239.03815 312.38211 317.0 0.003155 238.95419 312.05939 326.0 0.003067 238.87317 311.50375 345.0 0.002899 238.79512 310.72403 332.0 0.003012 238.72011 309.73669 354.0 0.002825 238.64803 308.56366 303.0 0.003300 238.57898 307.23041 289.0 0.003460 238.51303 305.76352 268.0 0.00373 238.45006 304.19028 301.0 0.003322 238.39018 302.53653 292.0 0.003425 238.33339 300.82623 318.0 0.003145 238.27974 299.08081 268.0 0.00373 238.22919 297.32022 302.0 0.003311 238.18176 295.55820 309.0 0.003236 238.13751 293.81027 336.0 0.002976 238.09639 292.08731 307.0 0.003257 238.05846 290.39941 332.0 0.003012 238.02370 288.75693 333.0 0.003003 237.99216 287.16199 326.0 0.003067 237.96379 285.62216 323.0 0.003096 237.93864 284.14157 306.0 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270.0 0.00370 241.93616 253.49533 238.0 0.00420 242.08423 253.42279 274.0 0.00365 242.23424 253.36610 244.0 0.00410 242.38603 253.32358 277.0 0.00361 242.53979 253.29396 266.0 0.00376 242.69534 253.27614 280.0 0.00357 242.85263 253.26857 257.0 0.00389 243.01149 253.27057 261.0 0.00383 243.17210 253.28171 266.0 0.00376 243.33430 253.30286 234.0 0.00427 243.49789 253.33130 259.0 0.00386 243.66306 253.36902 266.0 0.00376 243.82965 253.41541 235.0 0.00426 243.99759 253.44653 231.0 0.00433 244.16669 253.51167 255.0 0.00392 244.33714 253.58623 243.0 0.00412 244.50877 253.67024 254.0 0.00394 244.68150 253.76347 256.0 0.00391 244.85516 253.86603 283.0 0.00353 245.02994 253.97751 235.0 0.00426 245.20566 254.09773 242.0 0.00413 245.38210 254.22617 238.0 0.00420 245.55946 254.36298 253.0 0.00395 245.73756 254.51857 250.0 0.00400 245.91634 254.67027 257.0 0.00389 246.09558 254.82910 291.0 0.003436 246.27551 254.99416 258.0 0.00388 246.45592 255.16586 283.0 0.00353 246.63658 255.34306 230.0 0.00435 246.81775 255.52605 253.0 0.00395 246.99918 255.71440 272.0 0.00368 247.18082 255.90773 274.0 0.00365 247.36247 256.10599 267.0 0.00375 247.54436 256.30869 250.0 0.00400 247.72623 256.51617 253.0 0.00395 247.90791 256.72766 256.0 0.00391 248.08961 256.94363 279.0 0.00358 248.27112 257.16409 263.0 0.00380 248.45236 257.38837 271.0 0.00369 248.63313 257.61676 236.0 0.00424 248.81366 257.84949 269.0 0.00372 248.99371 258.08609 270.0 0.00370 249.17325 258.32758 247.0 0.00405 249.35204 258.57236 251.0 0.00398 249.53029 258.82172 254.0 0.00394 249.70782 259.07538 254.0 0.00394 249.88443 259.33276 278.0 0.00360 250.06030 259.59476 250.0 0.00400 250.23523 259.86115 257.0 0.00389 250.40916 260.13129 261.0 0.00383 250.58191 260.40570 266.0 0.00376 250.75365 260.68433 259.0 0.00386 250.92419 260.96674 244.0 0.00410 251.09337 261.25308 254.0 0.00394 251.26134 261.54379 257.0 0.00389 251.42793 261.83807 265.0 0.00377 251.59308 262.13623 279.0 0.00358 251.75658 262.43869 263.0 0.00380 251.91864 262.74402 281.0 0.00356 252.07909 263.05261 273.0 0.00366 252.23772 263.36569 272.0 0.00368 252.39471 263.68051 260.0 0.00385 252.54991 263.99860 259.0 0.00386 252.70325 264.31918 274.0 0.00365 252.85455 264.64270 245.0 0.00408 253.00400 264.96851 249.0 0.00402 253.15141 265.29654 273.0 0.00366 253.29675 265.62662 257.0 0.00389 253.43987 265.95853 258.0 0.00388 253.58090 266.29214 276.0 0.00362 253.71970 266.63242 258.0 0.00388 253.85612 266.96887 267.0 0.00375 253.99033 267.30670 288.0 0.003472 254.12216 267.64539 266.0 0.00376 254.25160 267.98495 268.0 0.00373 254.37848 268.32538 257.0 0.00389 254.50296 268.66611 254.0 0.00394 254.62491 269.00726 241.0 0.00415 254.74419 269.34866 258.0 0.00388 254.86096 269.69162 255.0 0.00392 254.97508 270.03363 254.0 0.00394 255.08655 270.37573 266.0 0.00376 255.19522 270.71799 236.0 0.00424 255.30124 271.06046 257.0 0.00389 255.40451 271.40280 272.0 0.00368 255.50491 271.74573 290.0 0.003448 255.60260 272.08853 279.0 0.00358 255.69745 272.43207 266.0 0.00376 255.78946 272.77588 273.0 0.00366 255.87854 273.12024 254.0 0.00394 255.96480 273.46527 249.0 0.00402 256.04819 273.81161 276.0 0.00362 256.12866 274.15860 302.0 0.003311 256.20618 274.50690 259.0 0.00386 256.28085 274.85638 249.0 0.00402 256.35257 275.20789 269.0 0.00372 256.42136 275.56091 276.0 0.00362 256.48727 275.91580 259.0 0.00386 256.55029 276.27261 254.0 0.00394 256.61038 276.63190 270.0 0.00370 256.66754 276.99359 305.0 0.003279 256.72186 277.35791 283.0 0.00353 256.77332 277.72452 270.0 0.00370 256.82187 278.09415 320.0 0.003125 256.86765 278.46658 267.0 0.00375 256.91058 278.84189 285.0 0.00351 256.95074 279.22037 297.0 0.003367 256.98813 279.60168 271.0 0.00369 257.02280 279.98615 261.0 0.00383 257.05478 280.37851 288.0 0.003472 257.08408 280.76974 258.0 0.00388 257.11075 281.16415 267.0 0.00375 257.13486 281.56204 279.0 0.00358 257.15643 281.96356 294.0 0.003401 257.17551 282.36847 269.0 0.00372 257.19214 282.77731 278.0 0.00360 257.20639 283.18982 250.0 0.00400 257.21832 283.60690 272.0 0.00368 257.22797 284.02777 270.0 0.00370 257.23538 284.45291 304.0 0.003289 257.24066 284.88730 288.0 0.003472 257.24387 285.32233 299.0 0.003344 257.24506 285.76321 273.0 0.00366 257.24429 286.21002 265.0 0.00377 257.24167 286.66428 272.0 0.00368 257.23727 287.12601 257.0 0.00389 257.23114 287.59686 296.0 0.003378 257.22342 288.07974 280.0 0.00357 257.21414 288.57230 277.0 0.00361 257.20340 289.07755 275.0 0.00364 257.19131 289.59793 286.0 0.003497 257.17795 290.13397 289.0 0.003460 257.16345 290.68756 284.0 0.00352 257.14786 291.26031 272.0 0.00368 257.13132 291.85229 291.0 0.003436 257.11389 292.46484 280.0 0.00357 257.09573 293.09802 296.0 0.003378 257.07690 293.75070 260.0 0.00385 257.05753 294.42242 278.0 0.00360 257.03775 295.11182 256.0 0.00391 257.01767 295.81628 294.0 0.003401 256.99734 296.53229 289.0 0.003460 256.97699 297.25024 290.0 0.003448 256.95667 297.97577 254.0 0.00394 256.93649 298.69708 283.0 0.00353 256.91663 299.40707 272.0 0.00368 256.89719 300.09766 276.0 0.00362 256.87823 300.75931 274.0 0.00365 256.85999 301.38153 293.0 0.003413 256.84250 301.95474 308.0 0.003247 256.82599 302.46942 274.0 0.00365 256.81049 302.91599 307.0 0.003257 256.79617 303.28751 291.0 0.003436 256.78317 303.57855 303.0 0.003300 256.77161 303.78683 310.0 0.003226 256.76163 303.91284 275.0 0.00364 256.75336 303.95889 293.0 0.003413 256.74689 303.93060 260.0 0.00385 256.74240 303.83438 289.0 0.003460 256.74002 303.67850 298.0 0.003356 256.73984 303.47079 294.0 0.003401 256.74200 303.21841 279.0 0.00358 256.74664 302.93103 317.0 0.003155 256.75391 302.61227 305.0 0.003279 256.76382 302.26938 306.0 0.003268 256.77661 301.90482 284.0 0.00352 256.79236 301.52774 311.0 0.003215 256.81116 301.13901 277.0 0.00361 256.83310 300.74146 310.0 0.003226 256.85837 300.33704 298.0 0.003356 256.88699 299.92664 286.0 0.003497 256.91907 299.51141 300.0 0.003333 256.95477 299.09241 272.0 0.00368 256.99411 298.66885 270.0 0.00370 257.03723 298.24280 298.0 0.003356 257.08411 297.80991 306.0 0.003268 257.13495 297.37183 300.0 0.003333 257.18973 296.92789 282.0 0.00355 257.24850 296.47797 275.0 0.00364 257.31140 296.02209 261.0 0.00383 257.37842 295.56009 262.0 0.00382 257.44955 295.09259 272.0 0.00368 257.52484 294.62051 288.0 0.003472 257.60437 294.14474 278.0 0.00360 257.68811 293.66730 263.0 0.00380 257.77597 293.18958 301.0 0.003322 257.86810 292.71423 309.0 0.003236 257.96439 292.24350 301.0 0.003322 258.06479 291.78015 272.0 0.00368 258.16916 291.32632 256.0 0.00391 258.27765 290.88553 287.0 0.003484 258.39005 290.46072 275.0 0.00364 258.50629 290.05487 259.0 0.00386 258.62616 289.67078 274.0 0.00365 258.74973 289.31143 303.0 0.003300 258.87677 288.97946 280.0 0.00357 259.00702 288.67780 273.0 0.00366 259.14047 288.40927 270.0 0.00370 259.27686 288.17621 265.0 0.00377 259.41595 287.98163 266.0 0.00376 259.55743 287.82736 280.0 0.00357 259.70123 287.71887 252.0 0.00397 259.84695 287.65143 257.0 0.00389 259.99420 287.63007 263.0 0.00380 260.14285 287.65640 274.0 0.00365 260.29245 287.73120 288.0 0.003472 260.44263 287.85535 244.0 0.00410 260.59283 288.02902 278.0 0.00360 260.74292 288.25290 293.0 0.003413 260.89221 288.52499 267.0 0.00375 261.04016 288.84512 308.0 0.003247 261.18646 289.21100 269.0 0.00372 261.33041 289.62012 289.0 0.003460 261.47147 290.06821 276.0 0.00362 261.60883 290.55261 284.0 0.00352 261.74210 291.02890 284.0 0.00352 261.87042 291.56342 291.0 0.003436 261.99307 292.11160 280.0 0.00357 262.10916 292.66385 293.0 0.003413 262.21808 293.20938 299.0 0.003344 262.31882 293.73599 264.0 0.00379 262.41046 294.23224 250.0 0.00400 262.49213 294.68668 250.0 0.00400 262.56274 295.09088 261.0 0.00383 262.62128 295.43726 263.0 0.00380 262.66656 295.72345 275.0 0.00364 262.69754 295.94907 268.0 0.00373 262.71295 296.12000 308.0 0.003247 262.71149 296.23804 273.0 0.00366 262.69186 296.31198 299.0 0.003344 262.65271 296.34906 249.0 0.00402 262.59250 296.35590 287.0 0.003484 262.50986 296.33899 282.0 0.00355 262.40305 296.30164 269.0 0.00372 262.27051 296.24728 262.0 0.00382 262.11063 296.17764 303.0 0.003300 261.92142 296.09146 324.0 0.003086 261.70108 295.98810 300.0 0.003333 261.44772 295.86465 279.0 0.00358 261.15958 295.71725 274.0 0.00365 260.83408 295.54099 274.0 0.00365 260.46924 295.32971 268.0 0.00373 260.06290 295.07761 271.0 0.00369 259.61301 294.77704 268.0 0.00373 259.11642 294.41931 288.0 0.003472 258.57101 293.99646 269.0 0.00372 257.97461 293.50119 271.0 0.00369 257.32358 292.92358 274.0 0.00365 256.61551 292.25708 274.0 0.00365 255.84753 291.49432 266.0 . . . 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 0 0 o 24190.961 22859.357 0.00 11.91599 37.68 0 0 2 o 113.060 107.347 180.00 9.88049 0.04 1 0 1 o 43807.63 42466.64 180.00 10.20432 100.00 1 0 2 o 36412.29 40865.64 0.00 7.60592 46.16 1 1 0 o 73920.09 76857.66 180.00 6.87970 38.10 2 0 0 o 3509.512 6088.825 180.00 5.95800 1.38 1 0 3 o 48.256 61.996 0.00 5.76483 0.04 2 0 1 o 10965.715 13099.612 180.00 5.70436 7.78 1 1 2 o 87.506 103.189 0.00 5.64589 0.03 1 1 -2 o 19.969 23.498 0.00 5.64589 0.01 2 0 2 o 16619.381 15274.151 180.00 5.10216 9.30 0 0 4 o 220561.70 247119.31 180.00 4.94025 19.32 1 0 4 o 2141.522 3537.384 180.00 4.56358 0.97 2 1 0 o 9942.773 11272.098 180.00 4.50382 4.33 2 0 3 o 872.456 877.577 0.00 4.41862 0.36 2 1 1 o 15327.113 15321.054 0.00 4.39121 6.30 2 1 -1 o 35837.05 35796.76 180.00 4.39121 14.76 2 1 2 o 7546.560 7422.066 180.00 4.09814 2.68 2 1 -2 o 50149.16 49331.57 180.00 4.09814 17.93 1 1 4 o 6696.419 5519.528 0.00 4.01281 1.15 1 1 -4 o 3070.915 2545.585 0.00 4.01281 0.52 3 0 0 o 9865.232 7196.449 0.00 3.97200 1.63 3 0 1 o 43.804 80.237 0.00 3.89411 0.01 1 0 5 o 16031.868 18211.699 0.00 3.75125 4.78 2 0 4 o 151.825 217.273 0.00 3.80296 0.05 2 1 3 o 501.130 613.103 0.00 3.71784 0.15 2 1 -3 o 871.804 1069.019 0.00 3.71784 0.26 3 0 2 o 45.222 72.108 180.00 3.68535 0.01 2 2 0 o 89549.33 92184.59 180.00 3.43985 11.09 3 0 3 o 4.785 4.006 180.00 3.40144 0.00 0 0 6 o 250.167 292.275 0.00 3.29350 0.01 2 0 5 o 2383.315 2784.489 0.00 3.29347 0.55 2 1 4 o 1377.601 1849.855 0.00 3.32830 0.32 2 1 -4 o 1128.438 1517.770 0.00 3.32830 0.26 3 1 0 o 253.579 302.332 0.00 3.30490 0.06 3 1 1 o 395.521 408.729 0.00 3.25963 0.09 3 1 -1 o 3493.242 3616.118 180.00 3.25963 0.78 2 2 2 o 0.511 0.464 180.00 3.24861 0.00 2 2 -2 o 0.031 0.029 180.00 3.24861 0.00 1 0 6 o 50964.84 53168.92 180.00 3.17447 10.68 3 1 2 o 3982.728 3996.046 0.00 3.13422 0.81 3 1 -2 o 3228.431 3230.527 0.00 3.13422 0.65 3 0 4 o 453.919 680.076 0.00 3.09555 0.09 1 1 6 o 200.793 204.427 180.00 2.97064 0.02 1 1 -6 o 137.433 139.809 180.00 2.97064 0.01 4 0 0 o 25109.527 26066.717 0.00 2.97900 2.29 2 1 5 o 8575.499 8693.924 180.00 2.97062 1.56 2 1 -5 o 10818.180 10956.283 0.00 2.97062 1.96 3 1 3 o 2798.259 2718.855 180.00 2.95395 0.50 3 1 -3 o 121.093 118.025 0.00 2.95395 0.02 4 0 1 o 58263.99 54865.38 180.00 2.94571 10.36 2 0 6 o 11245.044 10386.750 0.00 2.88242 1.93 4 0 2 o 49069.16 50166.38 0.00 2.85218 8.18 1 0 7 o 3752.955 7766.884 180.00 2.74696 0.61 2 2 4 o 14700.537 16456.951 0.00 2.82294 1.21 2 2 -4 o 1825.205 2030.946 0.00 2.82294 0.15 3 0 5 o 45.718 66.803 180.00 2.80160 0.01 3 1 4 o 259.742 485.164 0.00 2.74691 0.04 3 1 -4 o 0.377 1.765 180.00 2.74691 0.00 3 2 0 o 311.717 634.994 180.00 2.73372 0.05 4 0 3 o 468.499 761.749 0.00 2.71432 0.07 3 2 1 o 292.367 413.695 0.00 2.70793 0.05 3 2 -1 o 416.563 589.225 180.00 2.70793 0.07 2 1 6 o 17604.783 17204.539 0.00 2.65851 2.52 2 1 -6 o 36794.01 35965.75 0.00 2.65851 5.28 3 2 2 o 5815.428 4878.937 180.00 2.63473 0.81 3 2 -2 o 489.574 408.144 180.00 2.63473 0.07 2 0 7 o 2213.511 2514.804 180.00 2.55112 0.30 4 1 0 o 45772.03 44059.65 0.00 2.60028 6.31 4 1 -1 o 695.135 613.497 180.00 2.57806 0.09 4 1 1 o 408.707 360.457 180.00 2.57806 0.06 3 0 6 o 149.189 217.097 0.00 2.53531 0.02 4 0 4 o 888.966 1018.984 180.00 2.55108 0.12 3 1 5 o 184.822 273.449 0.00 2.53529 0.02 3 1 -5 o 173.097 281.157 0.00 2.53529 0.03 0 0 8 o 60.113 29.046 180.00 2.47012 0.00 3 2 3 o 2173.428 2829.582 180.00 2.52491 0.28 3 2 -3 o 199.368 255.661 0.00 2.52491 0.02 4 1 2 o 1.284 1.465 0.00 2.51466 0.00 4 1 -2 o 6.454 7.279 0.00 2.51466 0.00 1 0 8 o 83.309 45.284 180.00 2.41870 0.01 2 1 7 o 2647.620 2283.327 0.00 2.39196 0.30 2 1 -7 o 5996.820 5178.688 180.00 2.39196 0.69 4 1 3 o 1135.325 657.798 180.00 2.41865 0.13 4 1 -3 o 722.507 411.398 0.00 2.41865 0.08 2 2 -6 o 156.587 148.800 0.00 2.37891 0.01 2 2 6 o 68.522 64.775 180.00 2.37891 0.00 3 2 4 o 222.787 196.480 180.00 2.39193 0.02 3 2 -4 o 30.631 27.590 180.00 2.39193 0.00 5 0 0 o 109.544 101.924 0.00 2.38320 0.01 1 1 -8 o 3829.072 3888.058 180.00 2.32481 0.19 1 1 8 o 0.034 0.038 0.00 2.32481 0.00 4 0 5 o 4201.332 3996.562 0.00 2.37890 0.49 5 0 1 o 1030.683 940.992 0.00 2.36605 0.13 3 1 6 o 31.955 31.471 180.00 2.33288 0.01 3 1 -6 o 98.427 97.350 0.00 2.33288 0.01 2 0 8 o 4.948 3.913 0.00 2.28179 0.00 3 0 7 o 6.349 5.836 180.00 2.30104 0.00 5 0 2 o 19047.250 20387.500 0.00 2.31676 2.03 4 1 4 o 508.239 454.265 180.00 2.30101 0.06 4 1 -4 o 1.339 0.266 180.00 2.30101 0.00 3 3 0 o 4738.752 4084.399 0.00 2.29323 0.22 4 2 0 o 28.428 28.006 0.00 2.25191 0.00 3 2 5 o 404.134 399.485 0.00 2.24828 0.04 3 2 -5 o 658.996 654.606 180.00 2.24828 0.06 5 0 3 o 8898.242 8822.238 180.00 2.24103 0.85 4 2 -1 o 355.533 362.793 0.00 2.23743 0.04 4 2 1 o 45.400 46.944 180.00 2.23743 0.01 3 3 2 o 31.473 33.634 180.00 2.23385 0.00 3 3 -2 o 24.733 26.485 180.00 2.23385 0.00 4 0 6 o 7102.605 9217.409 180.00 2.20931 0.75 1 0 9 o 996.751 1277.126 180.00 2.15931 0.09 2 1 8 o 19.345 27.443 0.00 2.16578 0.00 2 1 -8 o 33.287 52.751 0.00 2.16578 0.00 4 2 2 o 659.676 1162.051 180.00 2.19561 0.07 4 2 -2 o 1741.814 2984.667 180.00 2.19561 0.16 4 1 5 o 897.800 1232.824 180.00 2.17228 0.08 4 1 -5 o 465.510 638.794 0.00 2.17228 0.04 3 1 -7 o 263.304 274.663 0.00 2.14651 0.02 3 1 7 o 182.541 192.287 0.00 2.14651 0.02 5 0 4 o 914.822 946.527 0.00 2.14649 0.08 3 0 8 o 11457.988 9328.258 0.00 2.09759 0.93 5 1 0 o 5.939 5.614 180.00 2.14018 0.00 4 2 3 o 565.979 492.935 0.00 2.13083 0.05 4 2 -3 o 1037.057 887.898 180.00 2.13083 0.09 5 1 1 o 6.368 5.852 0.00 2.12773 0.00 5 1 -1 o 1666.628 1502.445 180.00 2.12773 0.14 2 0 9 o 209.009 176.707 180.00 2.06022 0.02 3 2 6 o 12.190 10.031 180.00 2.10351 0.00 3 2 -6 o 1969.213 1553.294 180.00 2.10351 0.16 5 1 -2 o 5437.854 4545.288 180.00 2.09167 0.44 5 1 2 o 4.593 3.338 0.00 2.09167 0.00 3 3 4 o 40690.22 36324.46 180.00 2.08006 1.63 3 3 -4 o 27004.559 24526.314 180.00 2.08006 1.06 4 0 7 o 3279.338 3098.768 180.00 2.04909 0.28 4 1 6 o 1.792 1.828 180.00 2.04087 0.00 4 2 4 o 428.779 413.229 180.00 2.04907 0.03 4 2 -4 o 376.494 369.464 180.00 2.04907 0.03 2 2 -8 o 4012.049 8417.858 0.00 2.00640 0.17 2 2 8 o 1533.123 2995.113 180.00 2.00640 0.06 4 1 -6 o 65.143 65.458 180.00 2.04087 0.01 5 0 5 o 344.812 345.026 180.00 2.04086 0.03 0 0 10 o 69.410 70.785 180.00 1.97610 0.00 5 1 3 o 308.329 356.373 180.00 2.03543 0.02 5 1 -3 o 711.844 805.959 0.00 2.03543 0.05 3 1 -8 o 698.732 724.078 0.00 1.97855 0.05 3 1 8 o 50.567 52.688 180.00 1.97855 0.00 2 1 9 o 134.135 130.522 0.00 1.97362 0.01 2 1 -9 o 1242.643 1210.550 180.00 1.97362 0.09 1 0 10 o 20274.025 18228.646 0.00 1.94947 1.42 6 0 0 o 6148.512 7378.055 180.00 1.98600 0.23 3 2 7 o 21.132 17.099 0.00 1.96383 0.00 3 2 -7 o 145.866 129.238 0.00 1.96383 0.01 6 0 1 o 67.562 66.699 0.00 1.97604 0.00 5 1 4 o 127.304 111.108 180.00 1.96382 0.01 5 1 -4 o 20.536 17.755 180.00 1.96382 0.00 4 3 0 o 828.699 743.896 0.00 1.95898 0.06 3 0 9 o 5.959 4.925 0.00 1.92161 0.00 4 2 5 o 1621.567 1472.192 180.00 1.95659 0.11 4 2 -5 o 247.268 226.655 0.00 1.95659 0.02 1 1 10 o 24.326 18.354 0.00 1.89930 0.00 1 1 -10 o 180.883 136.953 0.00 1.89930 0.01 4 3 -1 o 5299.410 4850.873 0.00 1.94942 0.37 4 3 1 o 417.610 383.617 180.00 1.94942 0.03 5 0 6 o 38454.08 33121.105 180.00 1.93074 2.71 6 0 2 o 40.579 36.918 0.00 1.94706 0.00 4 0 8 o 283.522 219.012 180.00 1.90148 0.02 4 1 -7 o 562.734 456.726 180.00 1.91257 0.04 4 1 7 o 2763.562 2230.591 0.00 1.91257 0.18 2 0 10 o 5554.770 4461.080 180.00 1.87562 0.36 4 3 2 o 493.683 400.928 0.00 1.92157 0.03 4 3 -2 o 4880.819 3870.874 0.00 1.92157 0.33 5 2 0 o 44619.40 37429.75 180.00 1.90809 3.01 6 0 3 o 87.007 71.669 180.00 1.90145 0.01 5 2 1 o 234.654 182.563 0.00 1.89925 0.02 5 2 -1 o 2067.608 1613.987 0.00 1.89925 0.14 3 3 6 o 529.200 371.577 0.00 1.88196 0.02 3 3 -6 o 12.871 9.349 0.00 1.88196 0.00 5 1 5 o 650.906 455.585 0.00 1.88196 0.04 5 1 -5 o 70.208 49.165 0.00 1.88196 0.00 4 3 3 o 35.215 25.059 180.00 1.87770 0.00 4 3 -3 o 25.599 18.557 180.00 1.87770 0.00 4 2 6 o 382.800 528.533 180.00 1.85892 0.02 5 2 2 o 198.254 157.097 0.00 1.87347 0.01 5 2 -2 o 17.027 13.342 180.00 1.87347 0.00 3 2 8 o 26.511 24.064 180.00 1.83276 0.00 3 2 -8 o 48.172 43.034 0.00 1.83276 0.00 3 1 -9 o 1014.479 907.127 180.00 1.82884 0.06 3 1 9 o 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1.25418 0.29 3 2 -14 o 2103.157 1930.334 180.00 1.25418 0.05 6 4 -5 o 146.605 161.131 180.00 1.29178 0.00 8 1 -6 o 10871.063 9714.658 180.00 1.28426 0.30 8 1 6 o 18998.932 16872.063 180.00 1.28426 0.52 4 3 12 o 497.446 564.282 180.00 1.26054 0.01 4 2 13 o 5060.244 5551.694 180.00 1.25990 0.14 4 2 -13 o 267.641 295.967 0.00 1.25990 0.01 6 3 -8 o 734.206 660.915 0.00 1.28291 0.02 6 0 12 o 7316.206 7868.682 180.00 1.26765 0.19 7 1 -9 o 1344.859 1200.518 0.00 1.28156 0.04 3 0 15 o 200.923 165.434 180.00 1.25042 0.01 9 0 4 o 34698.965 31077.467 180.00 1.27887 0.94 8 0 8 o 132.381 123.611 180.00 1.27554 0.00 8 2 -3 o 1778.888 1660.736 0.00 1.27553 0.05 8 2 3 o 181.869 170.586 0.00 1.27553 0.00 4 3 -12 o 97.409 112.219 180.00 1.26054 0.00 6 2 -10 o 92.934 97.874 180.00 1.26765 0.00 6 2 10 o 2761.273 2953.065 180.00 1.26765 0.08 0 0 16 o 3408.080 2281.928 180.00 1.23506 0.01 4 1 -14 o 91.525 61.390 180.00 1.24052 0.00 4 1 14 o 0.046 0.031 0.00 1.24052 0.00 5 5 6 o 315.856 324.414 180.00 1.26960 0.00 7 3 5 o 1665.771 1708.561 180.00 1.26960 0.05 5 2 12 o 391.885 278.041 180.00 1.24667 0.01 1 0 16 o 179.498 139.591 180.00 1.22848 0.00 5 5 -6 o 53.410 52.971 180.00 1.26960 0.00 7 3 -5 o 927.987 932.890 0.00 1.26960 0.03 6 4 6 o 147.750 181.800 180.00 1.26245 0.00 3 1 15 o 2878.149 2758.221 180.00 1.22376 0.07 5 1 13 o 808.789 525.230 180.00 1.23929 0.02 5 1 -13 o 417.809 271.514 180.00 1.23929 0.01 7 2 8 o 53.604 48.936 0.00 1.25417 0.00 5 2 -12 o 27221.770 19916.516 180.00 1.24667 0.70 5 4 9 o 572.055 501.866 0.00 1.25291 0.02 8 2 -4 o 1131.033 1155.348 0.00 1.25733 0.03 8 2 4 o 321.881 331.563 0.00 1.25733 0.01 6 4 -6 o 161.261 212.962 180.00 1.26245 0.00 9 0 5 o 27.942 26.343 0.00 1.25543 0.00 7 2 -8 o 110.605 100.306 0.00 1.25417 0.00 3 1 -15 o 488.128 468.754 0.00 1.22376 0.01 5 4 -9 o 826.571 733.651 180.00 1.25291 0.02 1 1 16 o 476.219 624.550 0.00 1.21563 0.01 1 1 -16 o 5103.664 6606.403 180.00 1.21563 0.06 8 1 -7 o 9109.873 7441.887 0.00 1.25039 0.24 8 1 7 o 1431.992 1163.851 180.00 1.25039 0.04 5 3 11 o 64.888 39.372 180.00 1.23565 0.00 5 3 -11 o 3458.792 2047.560 0.00 1.23565 0.09 7 0 11 o 959.553 575.361 180.00 1.23565 0.02 6 5 0 o 268.562 206.509 180.00 1.24914 0.01 9 1 0 o 1654.421 1274.439 0.00 1.24914 0.04 7 3 6 o 26395.027 18637.170 0.00 1.24172 0.67 6 5 -1 o 873.412 613.164 180.00 1.24665 0.02 9 1 -1 o 6001.874 4266.514 180.00 1.24665 0.15 6 5 1 o 1322.448 940.834 0.00 1.24665 0.03 9 1 1 o 3.391 2.523 180.00 1.24665 0.00 6 3 9 o 457.695 299.418 180.00 1.23928 0.01 2 0 16 o 16.688 24.631 180.00 1.20935 0.00 6 5 2 o 3512.383 2325.538 180.00 1.23927 0.09 5 0 14 o 9789.924 13494.086 0.00 1.21447 0.25 7 3 -6 o 18607.465 13745.010 0.00 1.24172 0.47 6 1 12 o 66.518 81.088 180.00 1.22024 0.00 4 0 15 o 2293.651 3844.034 0.00 1.20484 0.06 7 1 10 o 0.107 0.047 0.00 1.23324 0.00 7 1 -10 o 113.020 67.602 180.00 1.23324 0.00 8 0 9 o 20.138 11.280 180.00 1.23263 0.00 6 3 -9 o 311.434 207.771 180.00 1.23928 0.01 6 5 -2 o 1298.081 855.016 180.00 1.23927 0.03 9 1 -2 o 3669.833 2425.834 0.00 1.23927 0.09 9 1 2 o 183.834 119.395 0.00 1.23927 0.00 6 4 7 o 1494.765 1025.243 180.00 1.23024 0.04 7 4 0 o 9320.908 5356.363 180.00 1.23563 0.24 8 2 5 o 1.139 0.752 180.00 1.23503 0.00 8 2 -5 o 3690.348 2093.467 0.00 1.23503 0.09 6 1 -12 o 2043.048 2500.117 180.00 1.22024 0.05 6 5 3 o 270.148 220.309 180.00 1.22726 0.01 7 4 1 o 610.009 367.046 0.00 1.23322 0.02 7 4 -1 o 44.380 26.547 180.00 1.23322 0.00 7 4 2 o 0.009 0.008 180.00 1.22608 0.00 6 4 -7 o 337.503 229.621 180.00 1.23024 0.01 3 3 -14 o 43.781 80.502 0.00 1.20205 0.00 3 3 14 o 0.026 0.077 180.00 1.20205 0.00 6 2 -11 o 876.104 1179.232 0.00 1.21619 0.02 6 2 11 o 962.262 1302.213 180.00 1.21619 0.02 9 0 6 o 9.772 7.606 0.00 1.22845 0.00 6 0 13 o 49.086 79.634 0.00 1.20708 0.00 9 1 3 o 129.004 105.419 0.00 1.22726 0.00 9 1 -3 o 267.467 217.379 180.00 1.22726 0.01 6 5 -3 o 0.325 0.236 0.00 1.22726 0.00 7 4 -2 o 129.890 110.957 180.00 1.22608 0.00 4 3 -13 o 3.437 6.080 180.00 1.20094 0.00 4 3 13 o 201.022 382.228 0.00 1.20094 0.01 8 1 8 o 99.771 135.947 0.00 1.21446 0.00 7 4 3 o 540.832 737.805 180.00 1.21445 0.01 5 4 10 o 2105.157 3323.632 0.00 1.20764 0.05 7 2 9 o 107.659 149.864 180.00 1.21331 0.00 7 3 7 o 4217.240 6077.962 0.00 1.21103 0.11 6 5 4 o 163.697 235.529 0.00 1.21102 0.00 8 3 0 o 2787.353 4009.441 180.00 1.20989 0.07 8 2 6 o 17.845 25.784 180.00 1.20932 0.00 8 1 -8 o 1276.480 1768.230 180.00 1.21446 0.03 7 4 -3 o 51.503 70.114 0.00 1.21445 0.00 5 4 -10 o 175.468 279.327 0.00 1.20764 0.00 8 3 1 o 4118.630 6364.763 180.00 1.20762 0.10 7 2 -9 o 36.735 53.947 180.00 1.21331 0.00 7 3 -7 o 3064.484 4399.553 180.00 1.21103 0.08 9 1 -4 o 1437.068 2061.030 180.00 1.21102 0.04 6 5 -4 o 2.217 3.035 180.00 1.21102 0.00 9 1 4 o 88.209 125.679 180.00 1.21102 0.00 8 2 -6 o 22.295 31.771 180.00 1.20932 0.00 5 5 8 o 4341.090 8452.482 180.00 1.20203 0.06 8 3 -1 o 2705.596 4145.509 0.00 1.20762 0.07 8 3 2 o 1199.132 2430.577 180.00 1.20092 0.03 5 5 -8 o 3372.887 6912.045 180.00 1.20203 0.04 8 3 -2 o 70.211 133.888 0.00 1.20092 0.00