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

• README.md: Description of attached files in SI
• example_casestudy_1_MgMOF74_NP14.tar.gz: One example of LAMMPS inputs files for case study 1
• example_casestudy_2_HKUST1_NP16.tar.gz: One example of LAMMPS inputs files for case study 2
• example_casestudy_3_FAU_12UC.tar.gz: One example of LAMMPS inputs files for case study 3
• example_casestudy_4_FAU_NP160.tar.gz: One example of LAMMPS inputs files for case study 4
• all_casestudy_1_MOF74.tar.gz: All LAMMPS inputs files for case study 1
• all_casestudy_2_HKUST1.tar.gz: All LAMMPS inputs files for case study 2
• all_casestudy_3_zeolites.tar.gz: All LAMMPS inputs files for case study 3
• all_casestudy_4_zeroloading.tar.gz: All LAMMPS inputs files for case study 4
• results_casestudy_1_MOF74.tar.gz: Results for case study 1
• results_casestudy_2_HKUST1.tar.gz: Results for case study 2
• results_casestudy_3_zeolites.tar.gz: Results for case study 3
• results_casestudy_4_zeroloading.tar.gz: Results for case study 4