diff --git a/other/materials_designer/create_interface_with_min_strain_zsl.ipynb b/other/materials_designer/create_interface_with_min_strain_zsl.ipynb index 634d596f..c3321a70 100644 --- a/other/materials_designer/create_interface_with_min_strain_zsl.ipynb +++ b/other/materials_designer/create_interface_with_min_strain_zsl.ipynb @@ -52,7 +52,7 @@ "# Parameters can be set during the class initialization:\n", "interface_settings = InterfaceSettings(\n", " distance_z=3.0, # distance between two planes, in Angstroms\n", - " max_area=400, # maximum area of the generated interfaces, in Angstroms^2\n", + " max_area=50, # maximum area of the generated interfaces, in Angstroms^2\n", " use_conventional_cell=True, # if True, the surface plane is constructed using miller indices of the conventional cell\n", ")\n", "\n", @@ -349,11 +349,15 @@ "source": [ "from utils.jupyterlite import set_data\n", "\n", - "names = [f'{interface[\"name\"]}, Interface, Strain:{interface[\"metadata\"][\"interface_properties\"][\"mean_abs_strain\"]*100:.3f}%' for interface in selected_interfaces]\n", + "names = [\n", + " f'{interface[\"name\"]}, Interface, Strain:{interface[\"metadata\"][\"interface_properties\"][\"mean_abs_strain\"]*100:.3f}%'\n", + " for interface in selected_interfaces\n", + "]\n", "\n", - "named_selected_interfaces = [{\"name\": name, \"interface\": interface} for name, interface in zip(names, selected_interfaces)]\n", + "for name, interface in zip(names, selected_interfaces):\n", + " interface[\"name\"] = name\n", "\n", - "set_data(\"materials\", named_selected_interfaces)" + "set_data(\"materials\", selected_interfaces)" ] } ],