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christopher2lllp3t-cell

materials-studio-mcp-moc

ms_geology_build_periodic_slab_cell

Convert a reviewed 2D surface into a periodic 3D slab cell by adding a vacuum gap, applying a hash-bound integrity check, and respecting cell tolerance for reproducible simulations.

Instructions

Convert a reviewed 2D surface to a hash-bound 3D periodic slab cell.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
dry_runNo
max_atomsYes
output_slotYes
input_sha256Yes
idempotency_keyYes
timeout_secondsNo
project_directoryYes
confirmation_tokenNo
cell_tolerance_angstromYes
input_surface_structureYes
expected_total_c_angstromYes
vacuum_thickness_angstromYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior2/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

No annotations are provided, so the description carries full responsibility for behavioral disclosure. It only states 'convert' without explaining side effects, prerequisites like what 'reviewed' means, the hashing mechanism, or whether the operation is destructive or requires confirmation. This is insufficient for a mutation-like tool.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is a single, focused sentence with no filler words. It immediately states the purpose and is well-structured for quick reading.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness1/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the tool's complexity (12 parameters, 9 required, no schema descriptions, no annotations), a one-sentence description is severely inadequate. It does not explain the workflow, the meaning of key terms, how to set required parameters, or what the output contains. The agent cannot reliably invoke this tool correctly.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters1/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

The schema has 0% description coverage, and the description does not compensate by explaining any of the 12 parameters. Terms like vacuum_thickness_angstrom and expected_total_c_angstrom are left entirely to the agent's interpretation, and the description's mention of 'hash-bound' gives no parameter-level guidance.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the verb 'Convert' and the resource: a reviewed 2D surface to a hash-bound 3D periodic slab cell. This distinguishes it from siblings like ms_geology_build_supercell, which focuses on supercell construction rather than slab cell conversion.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

There is no explicit guidance on when to use this tool versus alternatives. The description implies the input is a reviewed 2D surface, but it does not mention when to choose this over similar tools such as ms_geology_build_supercell or ms_pack_periodic_aqueous_nacl, nor any exclusions.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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