Update README.md

README.md

@@ -1,41 +1,42 @@
----
-license: apache-2.0
-language:
-- en
-pretty_name: CGWGAN
----
 
-+ site template : open.db.gz
-+ M3GNet-calculated phonon : merge.db
+---
 
+license: apache-2.0  
+language:  
+- en  
+pretty_name: CGWGAN  
 
-## Crystal Generative Framework based on Wyckoff Generative Adversarial Network
-In this study, we present the Crystal Generative framework based on the Wyckoff Generative Adversarial Network (CGWGAN)
++ Site Template: open.db.gz  
++ M3GNet-Calculated Phonon: merge.db  
++ VASP Relaxation Structure Comparison with PyXtal: random_vs.db  
 
+## Crystal Generative Framework Based on Wyckoff Generative Adversarial Network  
+In this study, we present the Crystal Generative Framework based on the Wyckoff Generative Adversarial Network (CGWGAN).  
 
-All templates with 3-4 asymmetric units generated in our work are available as open-source resources on the datasets CGWGAN.
+All templates with 3-4 asymmetric units generated in our work are available as open-source resources in the CGWGAN datasets.  
 
-## Python Implementation
+## Python Implementation  
 
-```
+```python
 from ase.db import connect
 
 database = connect('open.db')
-entry_id = 1 # the crystal index 
-atoms = database.get_atoms(id=_id)
+entry_id = 1  # The crystal index 
+atoms = database.get_atoms(id=entry_id)
 
-# chemical symbols
+# Chemical symbols
 symbols = atoms.get_chemical_symbols()
-# volume
+# Volume
 latt_vol = atoms.get_volume()
-# fractional positions
+# Fractional positions
 positions = atoms.get_scaled_positions()
-# etc ...
+# etc...
 ```
 
-## Operate and display db file 
-```
-# pip install CryDBkit
+## Operating and Displaying the DB File  
+```bash
+# Install CryDBkit
+pip install CryDBkit
 
 from CryDBkit import website
 
@@ -43,12 +44,12 @@ website.show('open.db')
 ```
 
 ```
-@misc {caobin_2024,
-	author       = { {caobin} },
-	title        = { CGWGAN (Revision 3415d7a) },
-	year         = 2024,
-	url          = { https://huggingface.co/datasets/caobin/CGWGAN },
-	doi          = { 10.57967/hf/3002 },
-	publisher    = { Hugging Face }
+@misc{caobin_2024,
+	author = {Cao Bin},
+	title = {CGWGAN (Revision 3415d7a)},
+	year = 2024,
+	url = {https://huggingface.co/datasets/caobin/CGWGAN},
+	doi = {10.57967/hf/3002},
+	publisher = {Hugging Face}
 }
-```
+```