The Agent Skills Directory

[COMMAND_EXECUTION]: The script scripts/calculate_elasticity.py is designed to run simulations that apply systematic strains to atomic structures and calculate the resulting stresses using MLIP calculators. This is the intended scientific function of the skill.
[SAFE]: The skill uses established materials science libraries, including ase, pymatgen, and matcalc, which are standard tools for crystallography and property calculations.
[SAFE]: File operations are limited to reading structure files (e.g., .cif, POSCAR) and writing numerical results in JSON format to user-specified or research-standard directories.
[SAFE]: The project structure uses standard paths and internal utility imports (src.utils.mlips.loader) consistent with a well-maintained scientific software repository.

mat-elasticity