Update src/streamlit_app.py

src/streamlit_app.py

@@ -1282,7 +1282,7 @@ if atoms is not None:
                         st.components.v1.html(opt_view._make_html(), width=400, height=400)
                         
                         with tempfile.NamedTemporaryFile(delete=False, suffix=".xyz", mode="w+") as tmp_file_opt:
-                            write(tmp_file_opt.name, calc_atoms, format="xyz")
+                            write(tmp_file_opt.name, calc_atoms, format="extxyz")
                             tmp_filepath_opt = tmp_file_opt.name
                         
                         with open(tmp_filepath_opt, 'r') as file_opt: