load_structure

Load a structure from any ASE-readable file (cif, xyz, traj, POSCAR, ...).

Server Fairchem jkitchin/fairchem-mcp
Category Read
Risk class Low
Parameters 00 required

What load_structure does on Fairchem

AI agents call load_structure to retrieve information from Fairchem without modifying anything — typically the context-gathering step in research, monitoring, and reporting workflows, before the agent takes action elsewhere.

Why load_structure needs a policy

Loading a structure file is a pure read operation. It retrieves existing data from a file into memory without creating, modifying, deleting, or executing code. While the server enables subsequent Execute actions (relaxations, MD, NEB simulations), the load_structure tool itself performs no side effects and poses minimal risk if misused in isolation.

From the tool's definition Tool description states 'Load a structure from any ASE-readable file' — a retrieval operation with no modification or execution of simulations. The verb 'load' indicates data ingestion only.

Questions about load_structure

What does the load_structure tool do? +

Load a structure from any ASE-readable file (cif, xyz, traj, POSCAR, ...). It is categorised as a Read tool in the Fairchem MCP Server, which means it retrieves data without modifying state.

How do I enforce a policy on load_structure? +

Register the Fairchem MCP server in PolicyLayer and add a rule for load_structure: allow, deny, rate-limit, or require approval. Point your MCP client at the PolicyLayer proxy URL and the rule is enforced on every call, before it reaches Fairchem. Nothing to install.

What risk level is load_structure? +

load_structure is a Read tool with low risk. Read-only tools are generally safe to allow by default.

Can I rate-limit load_structure? +

Yes. Add a rate_limit block to the load_structure rule in your PolicyLayer policy. For example, setting max: 10 and window: 60 limits the tool to 10 calls per minute. Rate limits are tracked per agent session and reset automatically.

How do I block load_structure completely? +

Set action: deny in the PolicyLayer policy for load_structure. The AI agent will receive a policy violation error and cannot call the tool. You can also include a reason field to explain why the tool is blocked.

What MCP server provides load_structure? +

load_structure is provided by the Fairchem MCP server (jkitchin/fairchem-mcp). PolicyLayer sits as a proxy in front of this server to enforce policies before tool calls reach the server.

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