mat-equation-of-state
Pass
Audited by Gen Agent Trust Hub on Jun 19, 2026
Risk Level: SAFECOMMAND_EXECUTIONEXTERNAL_DOWNLOADSPROMPT_INJECTION
Full Analysis
- [COMMAND_EXECUTION]: The script
scripts/calculate_eos.pyexecutes materials science simulations by applying volumetric strains to crystalline structures and fitting data to the Birch-Murnaghan equation of state. It handles structural relaxation and energy calculations based on user-supplied parameters.\n- [EXTERNAL_DOWNLOADS]: The skill is designed to work with interatomic potential models from MACE, MatGL, and FairChem. These models are typically retrieved from well-known scientific repositories by the underlying machine learning libraries during execution.\n- [PROMPT_INJECTION]: The skill's ingestion of structural data files creates a potential surface for indirect prompt injection.\n - Ingestion points: Crystalline structure files (CIF, POSCAR) provided to
scripts/calculate_eos.pyvia the--structureargument.\n - Boundary markers: No explicit instruction delimiters or warnings are used to separate the structural data from the agent's task context.\n
- Capability inventory: The skill performs interatomic potential calculations and writes output data (
eos_results.json) to the local file system.\n - Sanitization: Structure files are parsed using the standard
ase.io.readutility from the Atomic Simulation Environment library.\n- [SAFE]: No evidence of malicious behavior was found. The skill uses standard project structures, relies on reputable scientific software, and performs functions consistent with its stated purpose of materials property calculation.
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