Update README.md

README.md

@@ -11,6 +11,24 @@ In this study, we present the Crystal Generative framework based on the Wyckoff
 
 All templates with 3-4 asymmetric units generated in our work are available as open-source resources on the datasets CGWGAN.
 
+## Python Implementation
+
+```
+from ase.db import connect
+
+database = connect('open.db')
+entry_id = 1 # the crystal index 
+atoms = database.get_atoms(id=_id)
+
+# chemical symbols
+symbols = atoms.get_chemical_symbols()
+# volume
+latt_vol = atoms.get_volume()
+# fractional positions
+positions = atoms.get_scaled_positions()
+# etc ...
+```
+
 ## Contact Information:
 
 Mr. SU Tianhao