Add some test data

mpds-io · Mar 22, 2018 · 0f17283 · 0f17283
1 parent 27fbbd1
commit 0f17283
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diff --git a/data/UO2.poscar b/data/UO2.poscar
@@ -0,0 +1,19 @@
+ O  U
+ 1.0000000000000000
+     5.4699999999999998    0.0000000000000000    0.0000000000000000
+     0.0000000000000000    5.4699999999999998    0.0000000000000000
+     0.0000000000000000    0.0000000000000000    5.4699999999999998
+   8   4
+Cartesian
+  1.3674999999999999  1.3674999999999999  4.1025000000000000
+  1.3674999999999999  1.3674999999999999  1.3674999999999999
+  1.3674999999999999  4.1025000000000000  1.3674999999999999
+  1.3674999999999999  4.1025000000000000  4.1025000000000000
+  4.1025000000000000  1.3674999999999999  1.3674999999999999
+  4.1025000000000000  1.3674999999999999  4.1025000000000000
+  4.1025000000000000  4.1025000000000000  4.1025000000000000
+  4.1025000000000000  4.1025000000000000  1.3674999999999999
+  2.7349999999999999  2.7349999999999999  0.0000000000000000
+  2.7349999999999999  0.0000000000000000  2.7349999999999999
+  0.0000000000000000  2.7349999999999999  2.7349999999999999
+  0.0000000000000000  0.0000000000000000  0.0000000000000000
diff --git a/data/gold.cif b/data/gold.cif
@@ -0,0 +1,17 @@
+data_example
+_cell_length_a    4.07
+_cell_length_b    4.07
+_cell_length_c    4.07
+_cell_angle_alpha 90
+_cell_angle_beta  90
+_cell_angle_gamma 90
+_symmetry_Int_Tables_number    225
+_symmetry_space_group_name_H-M Fm-3m
+
+loop_
+ _atom_site_type_symbol
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+ Au 0.0 0.0 0.0 1.0