model_path: ../001RP1layer_Geo.cell new_element: Pd target_bondlength: 2.5 x_range: [0.0, 1.0] y_range: [0.0, 1.0] z_range: [0.4, 0.5] export_dir: demo/Pd_2.5_phosphorus kpoint_quality: Coarse edft: true