This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: Description of the dataset
• requirements.txt: Python environment
• export.aiida: AiiDA export file containing the simulation data
• data_LdotS_A1.csv: raw data of post-processed L.s data presented in Fig.5 for A1 structure
• data_LdotS_L1_1.csv: raw data of post-processed L.s data presented in Fig.5 for L1_1 structure