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Commit 0f17283

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blokhinblokhin
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Add some test data
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‎data/UO2.poscar‎

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O U
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1.0000000000000000
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5.4699999999999998 0.0000000000000000 0.0000000000000000
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0.0000000000000000 5.4699999999999998 0.0000000000000000
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0.0000000000000000 0.0000000000000000 5.4699999999999998
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8 4
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Cartesian
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1.3674999999999999 1.3674999999999999 4.1025000000000000
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1.3674999999999999 1.3674999999999999 1.3674999999999999
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1.3674999999999999 4.1025000000000000 1.3674999999999999
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1.3674999999999999 4.1025000000000000 4.1025000000000000
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4.1025000000000000 1.3674999999999999 1.3674999999999999
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4.1025000000000000 1.3674999999999999 4.1025000000000000
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4.1025000000000000 4.1025000000000000 4.1025000000000000
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4.1025000000000000 4.1025000000000000 1.3674999999999999
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2.7349999999999999 2.7349999999999999 0.0000000000000000
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2.7349999999999999 0.0000000000000000 2.7349999999999999
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0.0000000000000000 2.7349999999999999 2.7349999999999999
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0.0000000000000000 0.0000000000000000 0.0000000000000000

‎data/gold.cif‎

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data_example
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_cell_length_a 4.07
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_cell_length_b 4.07
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_cell_length_c 4.07
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_cell_angle_alpha 90
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_cell_angle_beta 90
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_cell_angle_gamma 90
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_symmetry_Int_Tables_number 225
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_symmetry_space_group_name_H-M Fm-3m
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loop_
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_atom_site_type_symbol
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_occupancy
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Au 0.0 0.0 0.0 1.0

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