#------------------------------------------------------------------------------
#$Date: 2014-05-29 05:32:22 +0300 (Thu, 29 May 2014) $
#$Revision: 114660 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/30/04/2300459.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2300459
loop_
_publ_author_name
'Nogueira, I. C.'
'Cavalcante, L. S.'
'Pereira, P. F. S.'
'de Jesus, M. M.'
'Rivas Mercury, J. M.'
'Batista, N. C.'
'Li, M. Siu'
'Longo, E.'
_publ_section_title
;
 Rietveld refinement, morphology and optical properties of
 (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals
;
_journal_coeditor_code           aj5215
_journal_issue                   5
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1434
_journal_page_last               1446
_journal_paper_doi               10.1107/S0021889813020335
_journal_volume                  46
_journal_year                    2013
_chemical_compound_source        Scheelite
_chemical_formula_analytical     BaMoO4
_chemical_formula_moiety         'Ba O4 Mo'
_chemical_formula_structural     'Ba Mo O4'
_chemical_formula_sum            'Ba Mo O4'
_chemical_formula_weight         297.27
_chemical_melting_point          1761
_chemical_name_common            'Barium molybdate'
_chemical_name_systematic        xx
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_date             2012-10-01T00:02
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2012-10-01T00:02  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.584828(21)
_cell_length_b                   5.584828
_cell_length_c                   12.82922(9)
_cell_measurement_temperature    298
_cell_volume                     400.147(3)
_computing_data_collection       Jade
_computing_data_reduction        Jade
_computing_structure_refinement  GSAS
_computing_structure_solution    xx
_diffrn_ambient_temperature      298
_diffrn_detector                 scintillation
_diffrn_detector_type            scintillation
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_radiation_monochromator  Jade
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_diffrn_source                   Cu
_diffrn_source_target            Cu
_diffrn_source_type              Copper
_exptl_absorpt_correction_T_max  0.97325
_exptl_absorpt_correction_T_min  0.47522
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 3
 Surface roughness abs. correction (Suortti)
Terms =     0.30798E-02    0.13241    
Correction is refined.
;
_exptl_crystal_density_diffrn    4.934
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             276
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_char_particle_morphology     irregular
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110.0
_pd_meas_2theta_range_min        10.0
_pd_meas_number_of_points        5001
_pd_meas_scan_method             disp
_pd_phase_name
'from C:/Ref_BSMO_4s_cop/BMO_cop_4s/BaMoO4.cif'
_pd_prep_cool_rate               1
_pd_prep_pressure                100
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110.0
_pd_proc_2theta_range_min        10.0
_pd_proc_info_data_reduction     Jade
_pd_proc_info_datetime           2012-10-01T00:02:28
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  9 terms.
 Shifted Chebyshev function of 1st kind
      1:    82.4781     2:   -29.2710     3:    40.6631     4:   -23.7703    
      5:    20.0941     6:   -9.13217     7:    5.39574     8:   -3.56143    
      9:  -0.331675    
;
_pd_proc_ls_peak_cutoff          0.00030
_pd_proc_ls_profile_function
;
 CW Profile function number 4 with  17 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.
 Peak tails are ignored  where the intensity is below 0.0003 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_number_of_points        5001
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.66
_refine_ls_goodness_of_fit_ref   1.40
_refine_ls_matrix_type           full
_refine_ls_number_parameters     21
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0555
_refine_ls_R_Fsqd_factor         0.04185
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.02
_refine_ls_wR_factor_gt          0.0920
_reflns_d_resolution_high        0.944
_reflns_d_resolution_low         5.121
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              13
_reflns_limit_l_min              0
_reflns_number_total             251
_[local]_cod_data_source_file    aj5215sup1.cif
_[local]_cod_data_source_block   BMO_DIP_CP_publ
_[local]_cod_cif_authors_sg_H-M  'I 41/a'
_[local]_cod_cif_authors_sg_Hall -I4ad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (15
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (55
times).

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        400.147(4)
_cod_database_code               2300459
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -y+3/4,+x+1/4,+z+1/4
3 -x+1/2,-y,+z+1/2
4 +y+3/4,-x+3/4,+z+3/4
-1 -x,-y,-z
-2 +y+1/4,-x+3/4,-z+3/4
-3 +x+1/2,+y,-z+1/2
-4 -y+1/4,+x+1/4,-z+1/4
101 +x+1/2,+y+1/2,+z+1/2
102 -y+1/4,+x+3/4,+z+3/4
103 -x,-y+1/2,+z
104 +y+1/4,-x+1/4,+z+1/4
-101 -x+1/2,-y+1/2,-z+1/2
-102 +y+3/4,-x+1/4,-z+1/4
-103 +x,+y+1/2,-z
-104 -y+3/4,+x+3/4,-z+3/4
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
Ba Ba1 0.0 0.25 0.625 1.0 Uiso 0.0125 4
Mo Mo1 0.0 0.25 0.125 1.0 Uiso 0.0125 4
O O1 0.22831 0.13536 0.04996 1.0 Uiso 0.0125 16
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
Ba 4.0 0.000 0.000 20.1807 3.21367 19.1136 0.28331 10.9054 20.0558 0.77363
51.7460 3.02902 International_Tables_Vol_C
Mo 4.0 0.000 0.000 17.8871 1.03649 11.1750 8.48061 6.57891 0.05888 0.0000
0.0000 0.34494 International_Tables_Vol_C
O 16.0 0.000 0.000 3.76936 15.0797 2.53342 6.30430 1.91579 40.3445 1.55094
0.31291 0.22789 International_Tables_Vol_C
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540500 1.000 CuK\a 1
1.544300 0.500 CuK\a 2
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_3
_geom_angle_publ_flag
Ba1 Ba1 Ba1 82.0884(5) 2_455 2_555 n
Ba1 Ba1 Ba1 124.66820(30) 2_455 4_444 n
Ba1 Ba1 Ba1 124.66820(30) 2_455 4_454 n
Ba1 Ba1 O1 127.90280(10) 2_455 3_555 n
Ba1 Ba1 O1 40.61550(20) 2_455 4_455 n
Ba1 Ba1 O1 104.18660(30) 2_455 -2_555 n
Ba1 Ba1 O1 104.4896(4) 2_455 -3_445 n
Ba1 Ba1 O1 84.46860(30) 2_455 101_455 n
Ba1 Ba1 O1 40.2694 2_455 -104_445 n
Ba1 Ba1 Ba1 124.66820(30) 2_555 4_444 n
Ba1 Ba1 Ba1 124.66820(30) 2_555 4_454 n
Ba1 Ba1 O1 84.46860(30) 2_555 3_555 n
Ba1 Ba1 O1 62.80110(30) 2_555 4_455 n
Ba1 Ba1 O1 40.2694 2_555 -2_555 n
Ba1 Ba1 O1 165.01030(10) 2_555 -3_445 n
Ba1 Ba1 O1 127.90280(10) 2_555 101_455 n
Ba1 Ba1 O1 40.61550(20) 2_555 102_334 n
Ba1 Ba1 O1 104.4896(4) 2_555 -101_444 n
Ba1 Ba1 O1 104.18660(30) 2_555 -104_445 n
Ba1 Ba1 Ba1 82.0884(5) 4_444 4_454 n
Ba1 Ba1 O1 165.01030(10) 4_444 4_455 n
Ba1 Ba1 O1 127.90280(10) 4_444 -2_555 n
Ba1 Ba1 O1 104.18660(30) 4_444 101_455 n
Ba1 Ba1 O1 84.46860(30) 4_444 -104_445 n
Ba1 Ba1 O1 104.18660(30) 4_454 3_555 n
Ba1 Ba1 O1 104.4896(4) 4_454 4_455 n
Ba1 Ba1 O1 84.46860(30) 4_454 -2_555 n
Ba1 Ba1 O1 40.2694 4_454 101_455 n
Ba1 Ba1 O1 127.90280(10) 4_454 -104_445 n
O1 Ba1 O1 145.05110(10) 3_555 4_455 n
O1 Ba1 O1 96.77090(10) 3_555 -2_555 n
O1 Ba1 O1 139.83611(30) 3_555 101_455 n
O1 Ba1 O1 74.5749(4) 3_555 102_334 n
O1 Ba1 O1 66.71730(10) 3_555 -101_444 n
O1 Ba1 O1 96.77090(10) 3_555 -104_445 n
O1 Ba1 O1 66.71730(10) 4_455 -2_555 n
O1 Ba1 O1 130.54640(30) 4_455 -3_445 n
O1 Ba1 O1 74.5749(4) 4_455 101_455 n
O1 Ba1 O1 130.54640(30) 4_455 -101_444 n
O1 Ba1 O1 80.88490(20) 4_455 -104_445 n
O1 Ba1 O1 145.05110(10) -2_555 -3_445 n
O1 Ba1 O1 96.77090(10) -2_555 101_455 n
O1 Ba1 O1 80.88490(20) -2_555 102_334 n
O1 Ba1 O1 74.5749(4) -2_555 -101_444 n
O1 Ba1 O1 139.83611(30) -2_555 -104_445 n
O1 Ba1 O1 96.77090(10) 101_455 -104_445 n
O1 Mo1 O1 108.23030(20) 1_555 -4_555 n
O1 Mo1 O1 111.9826(4) 1_555 103_343 n
O1 Mo1 O1 108.23030(20) 1_555 -102_444 n
O1 Mo1 O1 108.23030(20) -4_555 103_343 n
O1 Mo1 O1 111.9826(4) -4_555 -102_444 n
O1 Mo1 O1 108.23030(20) 103_343 -102_444 n
Ba1 O1 Ba1 99.11510(20) 2_554 3_554 n
Ba1 O1 Mo1 140.28040(10) 2_554 1_555 n
Ba1 O1 Mo1 119.62910(30) 3_554 1_555 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ba1 O1 2.803740(10) 3_555 n
Ba1 O1 2.783950(10) 4_455 n
Ba1 O1 2.803740(10) -2_555 n
Ba1 O1 2.783950(10) -3_455 n
Ba1 O1 2.803740(10) 101_455 n
Ba1 O1 2.783950(10) 102_545 n
Ba1 O1 2.783950(10) -101_444 n
Ba1 O1 2.803740(10) -104_334 n
Mo1 O1 1.721210(10) 1_555 n
Mo1 O1 1.721210(10) -4_555 n
Mo1 O1 1.721210(10) 103_555 n
Mo1 O1 1.721210(10) -102_344 n
O1 Ba1 2.783950(10) 2_554 n
O1 Ba1 2.803740(10) 3_554 n
O1 Mo1 1.721210(10) 1_555 n
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
234.0 0.00427 214.03426 214.04784
236.0 0.00424 213.51360 213.52696
215.0 0.00465 212.99432 213.00754
210.0 0.00476 212.47644 212.48941
215.0 0.00465 211.95995 211.97276
235.0 0.00426 211.44487 211.45749
238.0 0.00420 210.93118 210.94362
222.0 0.00450 210.41885 210.43108
233.0 0.00429 209.90793 209.91998
255.0 0.00392 209.39838 209.41023
224.0 0.00446 208.89023 208.90192
247.0 0.00405 208.38342 208.39491
204.0 0.00490 207.87799 207.88931
193.0 0.00518 207.37396 207.38509
234.0 0.00427 206.87128 206.88225
223.0 0.00448 206.36995 206.38072
233.0 0.00429 205.87003 205.88062
216.0 0.00463 205.37140 205.38181
182.0 0.00549 204.87419 204.88440
220.0 0.00455 204.37828 204.38835
219.0 0.00457 203.88377 203.89366
222.0 0.00450 203.39055 203.40025
197.0 0.00508 202.89871 202.90823
219.0 0.00457 202.40820 202.41757
206.0 0.00485 201.91905 201.92824
242.0 0.00413 201.43118 201.44022
223.0 0.00448 200.94470 200.95354
243.0 0.00412 200.45953 200.46820
218.0 0.00459 199.97569 199.98418
204.0 0.00490 199.49318 199.50151
189.0 0.00529 199.01198 199.02014
188.0 0.00532 198.53210 198.54007
213.0 0.00469 198.05354 198.06136
198.0 0.00505 197.57629 197.58397
226.0 0.00442 197.10033 197.10783
186.0 0.00538 196.62567 196.63304
233.0 0.00429 196.15236 196.15955
211.0 0.00474 195.68034 195.68739
242.0 0.00413 195.20959 195.21648
225.0 0.00444 194.74016 194.74689
202.0 0.00495 194.27203 194.27858
216.0 0.00463 193.80519 193.81157
207.0 0.00483 193.33960 193.34581
209.0 0.00478 192.87532 192.88141
207.0 0.00483 192.41234 192.41824
203.0 0.00493 191.95064 191.95642
211.0 0.00474 191.49017 191.49579
210.0 0.00476 191.03098 191.03648
201.0 0.00498 190.57309 190.57841
210.0 0.00476 190.11647 190.12166
195.0 0.00513 189.66109 189.66612
188.0 0.00532 189.20699 189.21187
218.0 0.00459 188.75414 188.75888
188.0 0.00532 188.30255 188.30716
192.0 0.00521 187.85223 187.85667
205.0 0.00488 187.40311 187.40741
211.0 0.00474 186.95529 186.95946
212.0 0.00472 186.50870 186.51274
214.0 0.00467 186.06337 186.06726
176.0 0.00568 185.61926 185.62300
175.0 0.00571 185.17641 185.18001
186.0 0.00538 184.73477 184.73824
212.0 0.00472 184.29437 184.29770
175.0 0.00571 183.85521 183.85840
191.0 0.00524 183.41725 183.42030
177.0 0.00565 182.98055 182.98347
192.0 0.00521 182.54504 182.54784
186.0 0.00538 182.11079 182.11345
172.0 0.00581 181.67773 181.68024
210.0 0.00476 181.24588 181.24828
187.0 0.00535 180.81525 180.81750
187.0 0.00535 180.38579 180.38797
196.0 0.00510 179.95761 179.95961
174.0 0.00575 179.53055 179.53241
188.0 0.00532 179.10475 179.10651
190.0 0.00526 178.68015 178.68175
180.0 0.00556 178.25670 178.25819
192.0 0.00521 177.83447 177.83585
176.0 0.00568 177.41342 177.41469
172.0 0.00581 176.99356 176.99471
191.0 0.00524 176.57494 176.57593
171.0 0.00585 176.15746 176.15833
171.0 0.00585 175.74112 175.74187
170.0 0.00588 175.32599 175.32663
188.0 0.00532 174.91202 174.91255
187.0 0.00535 174.49924 174.49966
170.0 0.00588 174.08763 174.08791
187.0 0.00535 173.67719 173.67734
171.0 0.00585 173.26790 173.26796
150.0 0.00667 172.85976 172.85970
178.0 0.00562 172.45280 172.45262
140.0 0.00714 172.04697 172.04671
155.0 0.00645 171.64233 171.64194
184.0 0.00543 171.23883 171.23833
168.0 0.00595 170.83643 170.83582
168.0 0.00595 170.43523 170.43452
179.0 0.00559 170.03514 170.03435
153.0 0.00654 169.63626 169.63530
168.0 0.00595 169.23845 169.23743
164.0 0.00610 168.84180 168.84067
149.0 0.00671 168.44626 168.44504
188.0 0.00532 168.05186 168.05051
183.0 0.00546 167.65862 167.65715
155.0 0.00645 167.26646 167.26488
147.0 0.00680 166.87546 166.87379
158.0 0.00633 166.48557 166.48376
164.0 0.00610 166.09680 166.09491
157.0 0.00637 165.70909 165.70714
175.0 0.00571 165.32256 165.32048
177.0 0.00565 164.93712 164.93494
153.0 0.00654 164.55280 164.55052
154.0 0.00649 164.16956 164.16722
174.0 0.00575 163.78743 163.78497
155.0 0.00645 163.40642 163.40387
150.0 0.00667 163.02650 163.02385
167.0 0.00599 162.64767 162.64491
147.0 0.00680 162.26993 162.26709
184.0 0.00543 161.89328 161.89034
157.0 0.00637 161.51772 161.51469
144.0 0.00694 161.14325 161.14014
157.0 0.00637 160.76988 160.76668
145.0 0.00690 160.39752 160.39424
147.0 0.00680 160.02631 160.02295
148.0 0.00676 159.65614 159.65268
164.0 0.00610 159.28708 159.28352
153.0 0.00654 158.91907 158.91542
157.0 0.00637 158.55209 158.54839
147.0 0.00680 158.18626 158.18245
173.0 0.00578 157.82143 157.81752
158.0 0.00633 157.45769 157.45370
145.0 0.00690 157.09497 157.09091
158.0 0.00633 156.73334 156.72920
180.0 0.00556 156.37274 156.36855
142.0 0.00704 156.01321 156.00894
150.0 0.00667 155.65474 155.65036
135.0 0.00741 155.29729 155.29285
134.0 0.00746 154.94090 154.93637
142.0 0.00704 154.58554 154.58096
135.0 0.00741 154.23125 154.22655
140.0 0.00714 153.87796 153.87321
124.0 0.00806 153.52571 153.52090
160.0 0.00625 153.17453 153.16963
175.0 0.00571 152.82434 152.81935
132.0 0.00758 152.47519 152.47014
144.0 0.00694 152.12706 152.12192
136.0 0.00735 151.77997 151.77478
155.0 0.00645 151.43388 151.42863
146.0 0.00685 151.08882 151.08351
150.0 0.00667 150.74480 150.73938
139.0 0.00719 150.40175 150.39630
135.0 0.00741 150.05972 150.05420
144.0 0.00694 149.71867 149.71307
129.0 0.00775 149.37868 149.37303
152.0 0.00658 149.03970 149.03395
144.0 0.00694 148.70169 148.69589
150.0 0.00667 148.36469 148.35880
131.0 0.00763 148.02869 148.02275
166.0 0.00602 147.69368 147.68767
151.0 0.00662 147.35965 147.35362
138.0 0.00725 147.02664 147.02052
143.0 0.00699 146.69458 146.68840
153.0 0.00654 146.36353 146.35728
138.0 0.00725 146.03346 146.02715
151.0 0.00662 145.70439 145.69803
167.0 0.00599 145.37627 145.36986
136.0 0.00735 145.04912 145.04266
138.0 0.00725 144.72296 144.71645
135.0 0.00741 144.39778 144.39122
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90.0 0.01111 59.14793 68.74116
58.0 0.01724 59.15677 70.15987
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80.0 0.01250 59.17441 71.20514
48.0 0.02083 59.18322 71.78743
67.0 0.01493 59.19202 72.41537
72.0 0.01389 59.20081 73.09421
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89.0 0.01124 59.29700 87.18828
95.0 0.01053 59.30568 89.45432
92.0 0.01087 59.31438 92.04202
121.0 0.00826 59.32305 95.02461
90.0 0.01111 59.33172 98.50858
127.0 0.00787 59.34037 102.66151
98.0 0.01020 59.34903 107.79946
146.0 0.00685 59.35766 114.49903
119.0 0.00840 59.36630 123.86935
124.0 0.00806 59.37492 137.86984
144.0 0.00694 59.38352 159.80412
193.0 0.00518 59.39214 194.57793
256.0 0.00391 59.40073 248.52695
332.0 0.003012 59.40932 328.33990
410.0 0.002439 59.41789 438.85562
593.0 0.001686 59.42646 579.96204
730.0 0.001370 59.43502 743.33606
905.0 0.001105 59.44357 910.20856
1014.0 0.000986 59.45210 1052.19470
1113.0 0.000898 59.46064 1137.78992
1107.0 0.000903 59.46915 1145.79712
1001.0 0.000999 59.47766 1081.32910
897.0 0.001115 59.48616 976.63910
753.0 0.001328 59.49465 871.83759
686.0 0.001458 59.50314 798.52631
687.0 0.001456 59.51160 775.18237
728.0 0.001374 59.52006 807.86011
831.0 0.001203 59.52852 892.70392
946.0 0.001057 59.53696 1019.82843
1080.0 0.000926 59.54538 1178.10217
1405.0 0.000712 59.55380 1359.67822
1506.0 0.000664 59.56222 1558.71777
1791.0 0.000558 59.57061 1759.80469
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2026.0 0.000494 59.58739 2016.74292
2015.0 0.000496 59.59575 1985.68030
1900.0 0.000526 59.60411 1834.88232
1587.0 0.000630 59.61246 1611.94971
1379.0 0.000725 59.62080 1382.67151
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1006.0 0.000994 59.64575 1047.63550
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1039.0 0.000962 59.66233 1069.79541
1078.0 0.000928 59.67060 1052.59802
1035.0 0.000966 59.67886 979.52771
942.0 0.001062 59.68711 855.43536
785.0 0.001274 59.69535 705.14246
567.0 0.001764 59.70358 555.02875
437.0 0.002288 59.71180 423.49173
343.0 0.002915 59.72001 319.54660
267.0 0.00375 59.72820 244.35255
238.0 0.00420 59.73639 193.93358
179.0 0.00559 59.74456 162.15521
185.0 0.00541 59.75272 143.02643
153.0 0.00654 59.76087 131.87788
153.0 0.00654 59.76902 125.56174
134.0 0.00746 59.77715 122.10633
132.0 0.00758 59.78526 120.23371
129.0 0.00775 59.79337 118.98428
112.0 0.00893 59.80145 117.55389
131.0 0.00763 59.80954 115.35805
123.0 0.00813 59.81761 112.24529
110.0 0.00909 59.82567 108.57584
104.0 0.00962 59.83371 104.94575
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87.0 0.01149 59.84976 99.58713
130.0 0.00769 59.85778 98.15601
118.0 0.00847 59.86577 97.36350
128.0 0.00781 59.87376 96.85153
106.0 0.00943 59.88174 96.22385
114.0 0.00877 59.88969 95.20780
95.0 0.01053 59.89765 93.78860
100.0 0.01000 59.90558 92.16912
115.0 0.00870 59.91351 90.59904
103.0 0.00971 59.92142 89.26503
114.0 0.00877 59.92932 88.26781
93.0 0.01075 59.93720 87.63291
89.0 0.01124 59.94509 87.33332
121.0 0.00826 59.95295 87.31643
98.0 0.01020 59.96079 87.52710
101.0 0.00990 59.96863 87.92142
109.0 0.00917 59.97646 88.47129
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107.0 0.00935 59.99208 89.99368
112.0 0.00893 59.99985 90.96790
114.0 0.00877 60.00763 92.09530
116.0 0.00862 60.01538 93.38970
128.0 0.00781 60.02313 94.86860
108.0 0.00926 60.03086 96.55360
118.0 0.00847 60.03859 98.49317
140.0 0.00714 60.04629 100.67542
111.0 0.00901 60.05399 103.16131
114.0 0.00877 60.06167 105.99932
115.0 0.00870 60.06934 109.25050
122.0 0.00820 60.07700 112.99426
130.0 0.00769 60.08464 117.33806
155.0 0.00645 60.09227 122.43327
138.0 0.00725 60.09988 128.49954
155.0 0.00645 60.10748 135.85780
166.0 0.00602 60.11507 144.98277
187.0 0.00535 60.12265 156.51237
191.0 0.00524 60.13021 171.40402
189.0 0.00529 60.13776 191.09270
239.0 0.00418 60.14529 217.95926
293.0 0.003413 60.15281 256.22318
277.0 0.00361 60.16031 313.35129
408.0 0.002451 60.16780 401.73416
531.0 0.001883 60.17528 539.82416
735.0 0.001361 60.18274 751.27271
945.0 0.001058 60.19019 1060.25171
1380.0 0.000725 60.19763 1481.66687
1926.0 0.000519 60.20505 2007.67725
2503.0 0.000400 60.21246 2595.32031
3083.0 0.0003244 60.21984 3161.01123
3539.0 0.0002826 60.22723 3590.07422
3804.0 0.0002629 60.23459 3771.41968
3718.0 0.0002690 60.24195 3657.04346
3201.0 0.0003124 60.24928 3306.55225
2642.0 0.000379 60.25660 2853.82837
2159.0 0.000463 60.26390 2431.90918
1866.0 0.000536 60.27121 2129.96997
1662.0 0.000602 60.27848 1981.86377
1767.0 0.000566 60.28575 1967.76306
1850.0 0.000541 60.29299 2024.77612
2003.0 0.000499 60.30023 2067.49683
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1913.0 0.000523 60.31465 1847.92737
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1271.0 0.000787 60.32902 1269.56433
964.0 0.001037 60.33618 969.91217
696.0 0.001437 60.34332 713.82642
507.0 0.001972 60.35045 515.76392
391.0 0.002558 60.35757 375.08237
269.0 0.00372 60.36467 281.94424
255.0 0.00392 60.37176 223.28712
200.0 0.00500 60.37882 187.08966
207.0 0.00483 60.38588 164.34221
170.0 0.00588 60.39292 149.22130
150.0 0.00667 60.39994 138.36913
139.0 0.00719 60.40695 130.00357
127.0 0.00787 60.41395 123.21740
125.0 0.00800 60.42093 117.54193
118.0 0.00847 60.42789 112.71553
121.0 0.00826 60.43483 108.57591
117.0 0.00855 60.44177 105.01482
115.0 0.00870 60.44869 101.96262
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77.0 0.01299 80.36873 84.84991
88.0 0.01136 80.39618 84.91386
70.0 0.01429 80.42351 84.98830
72.0 0.01389 80.45071 85.07322
64.0 0.01563 80.47780 85.16914
80.0 0.01250 80.50478 85.27715
81.0 0.01235 80.53162 85.39951
92.0 0.01087 80.55834 85.59253
73.0 0.01370 80.58494 85.75938
84.0 0.01190 80.61140 85.96360
86.0 0.01163 80.63774 86.22408
72.0 0.01389 80.66396 86.56902
81.0 0.01235 80.69005 87.03783
95.0 0.01053 80.71600 87.68049
70.0 0.01429 80.74184 88.55414
78.0 0.01282 80.76752 89.71451
86.0 0.01163 80.79309 91.20245
90.0 0.01111 80.81852 93.02796
104.0 0.00962 80.84382 95.15279
98.0 0.01020 80.86897 97.47704
93.0 0.01075 80.89400 99.82993
77.0 0.01299 80.91888 101.97299
90.0 0.01111 80.94364 103.59970
85.0 0.01176 80.96825 104.43274
91.0 0.01099 80.99271 104.32521
95.0 0.01053 81.01706 103.35091
81.0 0.01235 81.04124 101.76114
89.0 0.01124 81.06528 99.86308
86.0 0.01163 81.08919 97.95638
79.0 0.01266 81.11295 96.19524
88.0 0.01136 81.13654 94.74434
75.0 0.01333 81.16003 93.68162
86.0 0.01163 81.18333 93.03725
91.0 0.01099 81.20650 92.80834
83.0 0.01205 81.22952 92.97264
107.0 0.00935 81.25240 93.49757
84.0 0.01190 81.27512 94.34282
93.0 0.01075 81.29767 95.45718
107.0 0.00935 81.32008 96.77265
95.0 0.01053 81.34233 98.19785
107.0 0.00935 81.36445 99.61320
99.0 0.01010 81.38638 100.87309
106.0 0.00943 81.40817 101.82917
101.0 0.00990 81.42979 102.37148
103.0 0.00971 81.45126 102.49796
111.0 0.00901 81.47256 102.30878
104.0 0.00962 81.49370 101.95582
89.0 0.01124 81.51469 101.58768
86.0 0.01163 81.53551 101.32365
108.0 0.00926 81.55618 101.01465
107.0 0.00935 81.57665 101.18165
129.0 0.00775 81.59698 101.61312
108.0 0.00926 81.61713 102.31390
111.0 0.00901 81.63710 103.27810
99.0 0.01010 81.65693 104.49790
129.0 0.00775 81.67657 105.97083
116.0 0.00862 81.69604 107.70576
116.0 0.00862 81.71533 109.72888
130.0 0.00769 81.73445 112.09167
119.0 0.00840 81.75341 114.88516
136.0 0.00735 81.77218 118.26534
113.0 0.00885 81.79077 122.49564
129.0 0.00775 81.80917 128.01204
143.0 0.00699 81.82742 135.51315
149.0 0.00671 81.84547 146.06827
173.0 0.00578 81.86335 161.22083
236.0 0.00424 81.88103 183.04796
235.0 0.00426 81.89854 213.99687
249.0 0.00402 81.91588 257.14456
278.0 0.00360 81.93300 315.06345
430.0 0.002326 81.94994 389.66635
487.0 0.002053 81.96671 481.32626
591.0 0.001692 81.98328 588.10529
771.0 0.001297 81.99966 705.09717
920.0 0.001087 82.01585 823.92078
1026.0 0.000975 82.03184 932.49200
1147.0 0.000872 82.04765 1015.70691
1151.0 0.000869 82.06324 1058.51208
1123.0 0.000890 82.07865 1051.85071
1068.0 0.000936 82.09387 997.66266
951.0 0.001052 82.10887 907.78577
762.0 0.001312 82.12370 798.00958
630.0 0.001587 82.13830 682.92419
525.0 0.001905 82.15271 573.84222
504.0 0.001984 82.16692 478.59491
384.0 0.002604 82.18092 401.92950
352.0 0.002841 82.19471 346.08670
296.0 0.003378 82.20831 311.46576
287.0 0.003484 82.22169 297.27866
343.0 0.002915 82.23487 302.04672
334.0 0.002994 82.24783 323.84171
334.0 0.002994 82.26058 360.26288
461.0 0.002169 82.27312 408.23267
471.0 0.002123 82.28545 463.71063
528.0 0.001894 82.29757 521.42419
630.0 0.001587 82.30946 574.75378
681.0 0.001468 82.32114 616.22595
692.0 0.001445 82.33260 639.36389
655.0 0.001527 82.34384 641.72650
653.0 0.001531 82.35486 626.77521
668.0 0.001497 82.36566 602.46106
602.0 0.001661 82.37623 577.90717
559.0 0.001789 82.38658 560.77802
572.0 0.001748 82.39671 555.99524
565.0 0.001770 82.40662 565.23480
648.0 0.001543 82.41628 586.76996
660.0 0.001515 82.42571 615.55060
649.0 0.001541 82.43494 643.60815
687.0 0.001456 82.44392 661.26477
777.0 0.001287 82.45265 659.86737
657.0 0.001522 82.46117 635.44037
596.0 0.001678 82.46944 590.38318
625.0 0.001600 82.47749 531.51685
483.0 0.002070 82.48528 466.71771
389.0 0.002571 82.49285 402.78314
316.0 0.003165 82.50016 344.75851
267.0 0.00375 82.50725 295.93314
258.0 0.00388 82.51408 258.05389
237.0 0.00422 82.52068 231.65532
222.0 0.00450 82.52702 216.45744
215.0 0.00465 82.53313 211.75284
218.0 0.00459 82.53897 216.67505
231.0 0.00433 82.54459 230.27876
289.0 0.003460 82.54995 251.45274
294.0 0.003401 82.55503 278.75662
321.0 0.003115 82.55987 310.26001
394.0 0.002538 82.56447 343.42191
410.0 . . .
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_pd_refln_wavelength_id
_refln_observed_status
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
_refln_d_spacing
0 1 1 1 o 348.936 416.656 0.00 5.12067
0 1 1 2 o 338.921 416.656 0.00 5.12067
0 1 3 1 o 190.101 81.819 0.00 3.39534
0 1 3 2 o 143.151 81.819 0.00 3.39534
1 1 2 1 o 106911.27 106836.75 180.00 3.36288
1 1 2 2 o 107635.86 106836.75 180.00 3.36288
0 0 4 1 o 81493.04 79120.07 180.00 3.20731
0 0 4 2 o 81232.16 79120.07 180.00 3.20731
0 2 0 1 o 71310.76 68726.81 180.00 2.79241
0 2 0 2 o 72322.76 68726.81 180.00 2.79241
0 2 2 1 o 1566.095 1834.361 180.00 2.56033
0 2 2 2 o 1490.773 1834.361 180.00 2.56033
1 1 4 1 o 3128.551 3453.896 180.00 2.48964
1 1 4 2 o 3010.394 3453.896 180.00 2.48964
1 2 1 1 o -5.983 6.499 0.00 2.45158
2 1 1 1 o 6794.885 7165.447 0.00 2.45158
2 1 1 2 o 6573.337 7165.447 0.00 2.45158
1 2 1 2 o -13.446 6.499 0.00 2.45158
0 1 5 1 o 3936.757 4419.010 180.00 2.33155
0 1 5 2 o 3839.344 4419.010 180.00 2.33155
2 1 3 1 o 650.914 683.364 0.00 2.15672
1 2 3 1 o 7069.553 7369.613 180.00 2.15672
2 1 3 2 o 602.550 683.364 0.00 2.15672
1 2 3 2 o 6622.351 7369.613 180.00 2.15672
0 2 4 1 o 83244.19 82032.20 0.00 2.10605
0 2 4 2 o 81842.65 82032.20 0.00 2.10605
2 2 0 1 o 68822.84 66879.88 180.00 1.97453
2 2 0 2 o 66681.14 66879.88 180.00 1.97453
2 2 2 1 o 275.735 238.847 180.00 1.88715
2 2 2 2 o 256.916 238.847 180.00 1.88715
1 1 6 1 o 67011.26 64917.54 0.00 1.88028
1 1 6 2 o 65295.01 64917.54 0.00 1.88028
0 3 1 1 o 2079.919 2241.521 180.00 1.84231
0 3 1 2 o 2321.394 2241.521 180.00 1.84231
1 2 5 1 o 167.203 6.564 0.00 1.78971
2 1 5 1 o 255.792 86.102 180.00 1.78971
2 1 5 2 o 250.537 86.102 180.00 1.78971
1 2 5 2 o 162.229 6.564 0.00 1.78971
0 1 7 1 o 2716.837 2450.963 180.00 1.74138
0 1 7 2 o 2731.009 2450.963 180.00 1.74138
0 3 3 1 o 1217.905 1130.565 180.00 1.70689
1 3 2 1 o 70718.05 71656.04 0.00 1.70272
3 1 2 1 o 45507.70 46111.38 180.00 1.70272
0 3 3 2 o 1114.392 1130.565 180.00 1.70689
1 3 2 2 o 70020.88 71656.04 0.00 1.70272
3 1 2 2 o 45059.08 46111.38 180.00 1.70272
0 2 6 1 o 110.088 111.671 0.00 1.69767
0 2 6 2 o 110.524 111.671 0.00 1.69767
2 2 4 1 o 65106.18 61886.16 0.00 1.68144
2 2 4 2 o 63737.22 61886.16 0.00 1.68144
0 0 8 1 o 35570.30 37009.63 0.00 1.60365
0 0 8 2 o 36017.45 37009.63 0.00 1.60365
1 3 4 1 o -3.486 135.687 0.00 1.54705
3 1 4 1 o 0.000 0.019 0.00 1.54705
3 1 4 2 o 0.000 0.019 0.00 1.54705
1 3 4 2 o -3.486 135.687 0.00 1.54705
2 3 1 1 o -94.691 16.068 0.00 1.53778
3 2 1 1 o 1266.288 2253.240 0.00 1.53778
3 2 1 2 o 890.564 2253.240 0.00 1.53778
2 3 1 2 o -136.856 16.068 0.00 1.53778
0 3 5 1 o -162.137 93.684 0.00 1.50680
0 3 5 2 o -162.137 93.684 0.00 1.50680
1 1 8 1 o -11.024 408.784 180.00 1.48582
1 1 8 2 o -11.024 408.784 180.00 1.48582
2 1 7 1 o -167.705 3.985 0.00 1.47761
1 2 7 1 o 18.754 420.777 0.00 1.47761
1 2 7 2 o -109.545 420.777 0.00 1.47761
2 1 7 2 o -222.497 3.985 0.00 1.47761
2 3 3 1 o 147.438 450.839 180.00 1.45636
3 2 3 1 o -100.677 9.914 180.00 1.45636
3 2 3 2 o -92.153 9.914 180.00 1.45636
2 3 3 2 o 170.824 450.839 180.00 1.45636
2 2 6 1 o 1.815 17.333 0.00 1.45062
2 2 6 2 o -0.481 17.333 0.00 1.45062
0 4 0 1 o 43964.70 46530.68 0.00 1.39621
0 4 0 2 o 44111.97 46530.68 0.00 1.39621
0 2 8 1 o 54394.32 54658.91 180.00 1.39064
0 2 8 2 o 56548.98 54658.91 180.00 1.39064
0 1 9 1 o 507.611 427.270 0.00 1.38119
0 1 9 2 o 629.425 427.270 0.00 1.38119
0 4 2 1 o 1187.897 1166.685 180.00 1.36426
0 4 2 2 o 1132.461 1166.685 180.00 1.36426
1 3 6 1 o 35923.21 36565.67 180.00 1.36166
3 1 6 1 o 63398.12 64532.53 0.00 1.36166
1 3 6 2 o 36163.15 36565.67 180.00 1.36166
3 1 6 2 o 63821.75 64532.53 0.00 1.36166
4 1 1 1 o 952.855 839.843 0.00 1.34703
1 4 1 1 o 211.094 172.793 180.00 1.34703
4 1 1 2 o 1092.401 839.843 0.00 1.34703
1 4 1 2 o 258.387 172.793 180.00 1.34703
3 2 5 1 o 1026.270 863.576 180.00 1.32606
2 3 5 1 o 1826.624 1549.765 0.00 1.32606
2 3 5 2 o 1902.520 1549.765 0.00 1.32606
3 2 5 2 o 1070.870 863.576 180.00 1.32606
0 3 7 1 o 340.314 54.804 0.00 1.30603
0 3 7 2 o 298.161 54.804 0.00 1.30603
1 4 3 1 o 47.470 43.989 0.00 1.29129
4 1 3 1 o 149.218 144.476 0.00 1.29129
1 4 3 2 o 55.627 43.989 0.00 1.29129
4 1 3 2 o 160.330 144.476 0.00 1.29129
3 3 2 1 o 45911.03 44574.84 0.00 1.28949
3 3 2 2 o 49002.13 44574.84 0.00 1.28949
0 4 4 1 o 42707.98 42082.32 180.00 1.28017
0 4 4 2 o 46446.14 42082.32 180.00 1.28017
4 2 0 1 o 44835.30 43936.69 180.00 1.24881
2 4 0 1 o 55508.61 54395.39 0.00 1.24881
2 4 0 2 o 54116.66 54395.39 0.00 1.24881
4 2 0 2 o 43711.69 43936.69 180.00 1.24881
2 2 8 1 o 42225.95 41564.85 180.00 1.24482
1 2 9 1 o 2578.661 2111.113 0.00 1.23802
2 1 9 1 o 85.566 41.616 0.00 1.23802
2 2 8 2 o 43595.32 41564.85 180.00 1.24482
2 1 9 2 o 140.219 41.616 0.00 1.23802
1 2 9 2 o 3160.082 2111.113 0.00 1.23802
4 2 2 1 o 583.666 404.802 0.00 1.22579
2 4 2 1 o 51.307 35.584 0.00 1.22579
2 4 2 2 o 36.758 35.584 0.00 1.22579
4 2 2 2 o 418.154 404.802 0.00 1.22579
1 1 10 1 o 36625.28 38607.62 180.00 1.22015
1 1 10 2 o 38300.13 38607.62 180.00 1.22015
3 3 4 1 o 755.365 796.206 180.00 1.21778
3 3 4 2 o 973.528 796.206 180.00 1.21778
4 1 5 1 o 598.995 703.160 180.00 1.19785
1 4 5 1 o 1345.986 1560.143 0.00 1.19785
1 4 5 2 o 1206.590 1560.143 0.00 1.19785
4 1 5 2 o 531.193 703.160 180.00 1.19785
3 1 8 1 o 0.000 0.003 0.00 1.18723
1 3 8 1 o -0.842 23.638 0.00 1.18723
1 3 8 2 o 12.062 23.638 0.00 1.18723
3 1 8 2 o 0.002 0.003 0.00 1.18723
2 3 7 1 o 1541.710 1714.994 0.00 1.18303
3 2 7 1 o 186.743 220.080 0.00 1.18303
2 3 7 2 o 1781.032 1714.994 0.00 1.18303
3 2 7 2 o 232.784 220.080 0.00 1.18303
0 4 6 1 o 137.359 104.506 0.00 1.16905
0 4 6 2 o 97.147 104.506 0.00 1.16905
0 2 10 1 o 367.378 394.241 0.00 1.16577
2 4 4 1 o 32653.816 32180.744 180.00 1.16371
4 2 4 1 o 35082.31 34574.145 0.00 1.16371
0 2 10 2 o 392.561 394.241 0.00 1.16577
4 2 4 2 o 35728.60 34574.145 0.00 1.16371
2 4 4 2 o 33255.387 32180.744 180.00 1.16371
0 1 11 1 o 286.555 474.738 0.00 1.14166
0 1 11 2 o -52.747 474.738 0.00 1.14166
0 3 9 1 o 194.045 266.305 180.00 1.13178
0 3 9 2 o 295.942 266.305 180.00 1.13178
3 3 6 1 o 30912.891 30608.500 180.00 1.12096
3 3 6 2 o 31824.107 30608.500 180.00 1.12096
0 5 1 1 o 160.460 199.797 0.00 1.11276
0 5 1 2 o 77.880 199.797 0.00 1.11276
4 3 1 1 o 166.564 205.630 180.00 1.11276
3 4 1 1 o 254.294 303.995 180.00 1.11276
3 4 1 2 o 147.089 303.995 180.00 1.11276
4 3 1 2 o 82.297 205.630 180.00 1.11276
1 4 7 1 o 1061.446 1114.454 180.00 1.08931
4 1 7 1 o 357.884 379.266 180.00 1.08931
4 1 7 2 o 390.781 379.266 180.00 1.08931
1 4 7 2 o 1143.002 1114.454 180.00 1.08931
0 5 3 1 o 1251.948 1345.591 0.00 1.08071
1 5 2 1 o 27296.754 28898.781 180.00 1.07965
5 1 2 1 o 33373.848 35332.47 180.00 1.07965
0 5 3 2 o 1261.687 1345.591 0.00 1.08071
3 4 3 1 o 406.518 442.693 0.00 1.08071
4 3 3 1 o 1253.503 1349.014 180.00 1.08071
1 5 2 2 o 28138.211 28898.781 180.00 1.07965
5 1 2 2 o 34402.586 35332.47 180.00 1.07965
4 2 6 1 o 36.080 38.903 180.00 1.07836
2 4 6 1 o 3.172 3.420 180.00 1.07836
3 4 3 2 o 410.335 442.693 0.00 1.08071
4 3 3 2 o 1263.580 1349.014 180.00 1.08071
2 2 10 1 o 74.566 72.725 0.00 1.07579
4 2 6 2 o 40.226 38.903 180.00 1.07836
2 4 6 2 o 3.536 3.420 180.00 1.07836
2 2 10 2 o 83.360 72.725 0.00 1.07579
0 0 12 1 o 40772.25 39845.09 180.00 1.06910
0 0 12 2 o 42457.60 39845.09 180.00 1.06910
1 2 11 1 o 38.348 0.174 0.00 1.05675
2 1 11 1 o 1134.981 918.664 0.00 1.05675
1 2 11 2 o 10.494 0.174 0.00 1.05675
2 1 11 2 o 977.144 918.664 0.00 1.05675
0 4 8 1 o 31985.465 29828.715 0.00 1.05302
0 4 8 2 o 32749.275 29828.715 0.00 1.05302
2 3 9 1 o 888.808 750.822 180.00 1.04890
3 2 9 1 o 36.640 9.033 0.00 1.04890
2 3 9 2 o 1104.184 750.822 180.00 1.04890
3 2 9 2 o 79.730 9.033 0.00 1.04890
3 1 10 1 o 29638.799 28473.082 180.00 1.03796
1 3 10 1 o 29676.883 28509.645 0.00 1.03796
1 5 4 1 o 55.601 55.874 0.00 1.03650
5 1 4 1 o 90.863 91.309 180.00 1.03650
3 1 10 2 o 30281.396 28473.082 180.00 1.03796
1 3 10 2 o 30320.289 28509.645 0.00 1.03796
5 1 4 2 o 105.107 91.309 180.00 1.03650
1 5 4 2 o 64.317 55.874 0.00 1.03650
5 2 1 1 o 31.101 2.415 0.00 1.03370
2 5 1 1 o 726.277 605.925 0.00 1.03370
1 1 12 1 o 155.174 130.717 0.00 1.03195
5 2 1 2 o 10.373 2.415 0.00 1.03370
2 5 1 2 o 639.310 605.925 0.00 1.03370
1 1 12 2 o 124.633 130.717 0.00 1.03195
0 5 5 1 o -17.772 23.544 180.00 1.02413
3 4 5 1 o 202.734 303.056 0.00 1.02413
4 3 5 1 o -19.742 22.074 0.00 1.02413
0 5 5 2 o -64.757 23.544 180.00 1.02413
4 3 5 2 o -64.038 22.074 0.00 1.02413
3 4 5 2 o 96.463 303.056 0.00 1.02413
3 3 8 1 o -7.401 172.418 180.00 1.01747
3 3 8 2 o -7.401 172.418 180.00 1.01747
5 2 3 1 o -29.446 183.613 180.00 1.00786
2 5 3 1 o -105.931 10.815 0.00 1.00786
5 2 3 2 o 116.457 183.613 180.00 1.00786
2 5 3 2 o -25.983 10.815 0.00 1.00786
0 2 12 1 o 23445.809 23229.115 0.00 0.99843
0 2 12 2 o 25444.953 23229.115 0.00 0.99843
0 3 11 1 o 519.786 411.717 180.00 0.98835
4 4 0 1 o 21032.729 18768.908 0.00 0.98727
0 3 11 2 o 441.607 411.717 180.00 0.98835
2 4 8 1 o 21427.176 20003.656 0.00 0.98529
4 2 8 1 o 25570.482 23873.334 180.00 0.98529
4 4 0 2 o 19728.557 18768.908 0.00 0.98727
4 2 8 2 o 26385.475 23873.334 180.00 0.98529
2 4 8 2 o 22110.781 20003.656 0.00 0.98529
1 4 9 1 o 267.550 215.000 180.00 0.98191
4 1 9 1 o 157.667 118.979 0.00 0.98191
1 4 9 2 o 376.635 215.000 180.00 0.98191
4 1 9 2 o 237.976 118.979 0.00 0.98191
1 5 6 1 o 30561.145 27405.666 0.00 0.97482
5 1 6 1 o 22122.381 19835.682 0.00 0.97482
4 4 2 1 o 10.349 8.713 180.00 0.97578
5 1 6 2 o 22685.660 19835.682 0.00 0.97482
1 5 6 2 o 31338.438 27405.666 0.00 0.97482
0 1 13 1 o 94.508 59.960 180.00 0.97181
4 4 2 2 o 9.440 8.713 180.00 0.97578
0 1 13 2 o 94.078 59.960 180.00 0.97181
5 2 5 1 o 589.847 898.424 180.00 0.96151
2 5 5 1 o 464.528 716.174 180.00 0.96151
5 2 5 2 o 232.735 898.424 180.00 0.96151
2 5 5 2 o 173.301 716.174 180.00 0.96151
0 5 7 1 o -2.511 143.925 180.00 0.95379
0 5 7 2 o 145.505 143.925 180.00 0.95379
3 4 7 1 o 71.232 301.150 180.00 0.95379
4 3 7 1 o -5.210 139.555 0.00 0.95379
3 4 7 2 o 305.765 301.150 180.00 0.95379
4 3 7 2 o 142.460 139.555 0.00 0.95379
5 3 2 1 o 25040.068 23880.992 0.00 0.94729
3 5 2 1 o 23872.900 22767.713 180.00 0.94729
3 5 2 2 o 23983.236 22767.713 180.00 0.94729
5 3 2 2 o 25155.787 23880.992 0.00 0.94729
0 4 10 1 o 588.988 557.790 0.00 0.94468
4 4 4 1 o 26387.635 25153.619 180.00 0.94358
0 4 10 2 o 574.620 557.790 0.00 0.94468