Agent skill

Strain Deformation

by Hello-QM in Hello-QM/catgo-LRG

A skill your agent uses when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear).

AGPL-3.0Auto-check passed

Install Strain Deformation

skills CLI
$ npx skills add Hello-QM/catgo-LRG --skill strain-deformation -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG strain-deformation --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/.claude/skills/structure-strain .claude/skills/strain-deformation && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
strain-deformation
GitHub stars
205
Token cost
~1.3k tokens
SKILL.md length
435 words
Files
1
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

A skill your agent uses when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear).

  • Works in 3 steps: Fetch and relax structure → Apply strain series and compute stresses → Fit elastic tensor
  • The user asks to apply strain
  • SKILL.md covers Overview, MCP Tool: catgo_structure (via…, Parameters and Complete Workflow: Elastic…, plus 2 more sections
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Strain Deformation is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear).

Its SKILL.md is about 1.3k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

  • The user asks to apply strain
  • Lattice distortion
  • Mechanical loading to a periodic structure (uniaxial

Example prompts

  • “/strain-deformation”

Workflow steps

3 steps, taken from the step headings in SKILL.md.

  1. Fetch and relax structure
  2. Apply strain series and compute stresses
  3. Fit elastic tensor

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    No scripts in the folder and no shell commands in SKILL.md (its code samples are json).

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    No URLs in SKILL.md.

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Strain Deformation loads about 1.3k tokens when it runs. Until then it costs about 45 tokens; SKILL.md has 435 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~45
When it runs · the whole SKILL.md, loaded when a task matches
~1.3k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 435 words, ~1,276 tokens.

Download SKILL.mdSave it as .claude/skills/strain-deformation/SKILL.md (or your agent's skills folder).
name
strain-deformation
description
Use when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear).
tags
structure, strain, deformation, mechanical, elastic

Strain / Deformation

Overview

Applies mechanical strain to periodic structures by deforming the lattice. This is used for:

  • Strain engineering: Tuning electronic structure and catalytic activity
  • Elastic property calculations: Computing elastic tensors from stress-strain curves
  • Phase stability: Testing structural stability under deformation
  • Epitaxial strain: Modeling lattice mismatch in thin films and heterostructures

Four strain types are supported:

  • Uniaxial: Stretch/compress along a single axis (a, b, or c)
  • Biaxial: Stretch/compress in the ab-plane simultaneously
  • Hydrostatic: Uniform expansion/compression in all three directions
  • Shear: Off-diagonal deformation (tilting)

MCP Tool: catgo_structure (via REST /build/strain)

Strain is applied through the /build/strain endpoint. In the full MCP server, use the catgo_build_strain tool.

Apply Uniaxial Strain

Stretch a structure by 2% along the c-axis:

json
POST /build/strain
{
  "structure": { ... },
  "strain_type": "uniaxial",
  "axis": "c",
  "magnitude": 0.02,
  "n_steps": 1
}
Apply Biaxial Strain

Stretch in the ab-plane (common for surface/thin-film studies):

json
POST /build/strain
{
  "structure": { ... },
  "strain_type": "biaxial",
  "magnitude": 0.03,
  "n_steps": 1
}
Apply Hydrostatic Strain

Uniform expansion by 1%:

json
POST /build/strain
{
  "structure": { ... },
  "strain_type": "hydrostatic",
  "magnitude": 0.01,
  "n_steps": 1
}
Apply Shear Strain

Off-diagonal deformation:

json
POST /build/strain
{
  "structure": { ... },
  "strain_type": "shear",
  "magnitude": 0.02,
  "n_steps": 1
}
Generate Multiple Strain Steps

Generate a series of strained structures (e.g., for elastic constant calculations). Setting n_steps > 1 creates structures at evenly spaced magnitudes from -|magnitude| to +|magnitude|:

json
POST /build/strain
{
  "structure": { ... },
  "strain_type": "uniaxial",
  "axis": "c",
  "magnitude": 0.05,
  "n_steps": 11
}

This returns 11 structures at -5%, -4%, ..., 0%, ..., +4%, +5% strain.

Parameters

ParameterTypeDefaultDescription
strain_typestring"uniaxial"Type: uniaxial, biaxial, hydrostatic, shear
axisstring"c"Axis for uniaxial strain: a, b, or c
magnitudefloat0.02Strain magnitude (fraction, e.g., 0.02 = 2%)
n_stepsint1Number of strain steps (1 = single deformation)
structuredict--Structure in pymatgen dict format

Complete Workflow: Elastic Constants via Stress-Strain

1. Fetch and relax structure
json
{"tool": "catgo_fetch", "arguments": {
  "action": "crystal", "formula": "Cu", "provider": "mp"
}}
json
{"tool": "catgo_workflow", "arguments": {
  "action": "create", "name": "Cu elastic constants"
}}
json
{"tool": "catgo_workflow", "arguments": {
  "action": "add_node", "workflow_id": "wf_elastic",
  "node_type": "cell_opt",
  "params": {"software": "vasp", "ENCUT": 520,
             "system_name": "Cu cell opt"}
}}
2. Apply strain series and compute stresses

For each deformation mode (6 independent strains for cubic symmetry), apply a series of strains and run single-point calculations to get stress tensors.

Show full SKILL.md (166 more words)Show less
3. Fit elastic tensor

Use the workflow elastic_analysis node to fit the elastic tensor from the stress-strain data:

json
{"tool": "catgo_workflow", "arguments": {
  "action": "add_node", "workflow_id": "wf_elastic",
  "node_type": "elastic_analysis",
  "params": {"sym_reduce": true, "n_strains": 6, "strain_magnitude": 0.02}
}}

Deformation Matrix Reference

Strain TypeDeformation Matrix
Uniaxial (c)diag(1, 1, 1+e)
Biaxial (ab)diag(1+e, 1+e, 1)
Hydrostaticdiag(1+e, 1+e, 1+e)
Shear[[1, e, 0], [0, 1, 0], [0, 0, 1]]

Where e is the strain magnitude.

Common Pitfalls

  1. Strain magnitudes are fractional (0.02 = 2%). Typical values for elastic property calculations are 0.5-5%.
  2. Always relax the original structure first (cell_opt) before applying strain. Straining an unrelaxed structure gives meaningless results.
  3. For strain-activity relationships in catalysis, apply strain to the slab (not the bulk) and re-optimize adsorbate positions. The strained slab should have fixed lattice vectors during geo_opt (ISIF=2).
  4. When using n_steps > 1, structures are generated symmetrically around zero strain. This is important for elastic constant fitting (need both tensile and compressive data).
  5. Shear strain breaks symmetry. For elastic constant calculations, use the full set of 6 independent deformations for the relevant crystal system.

© Hello-QM, AGPL-3.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

Just SKILL.md in .claude/skills/structure-strain of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Strain Deformation next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Strain Deformation compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Strain Deformation this skillHello-QM/catgo-LRG205—~1.3kAutomated safety check: PassAGPL-3.0
Latticeghbalf/freecad-ai552—~483Automated safety check: PassLGPL-2.1
Lattice Crypto Attacksyaklang/hack-skills2.4k—~3.5kAutomated safety check: PassMIT
Tao Train Deformable DetrNVIDIA/skills3.5k—~3.9kAutomated safety check: NotesApache-2.0
Bio Metagenomics Strain TrackingFreedomIntelligence/OpenClaw-Medical-Skills3.1k1 repos~1.9kAutomated safety check: PassNone
Scenario Maya Deformationscenario-labs/skills931—~4.9kAutomated safety check: PassMIT

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Questions about Strain Deformation

What does Strain Deformation do?

A skill your agent uses when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear). Strain Deformation is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to apply strain, deformation, lattice distortion, or mechanical loading to a periodic structure (uniaxial, biaxial, hydrostatic, or shear).

When should I use Strain Deformation?

Strain Deformation fits situations like: the user asks to apply strain; lattice distortion; mechanical loading to a periodic structure (uniaxial.

How do I install Strain Deformation in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill strain-deformation -a claude-code`. Or copy the skill folder (.claude/skills/structure-strain in Hello-QM/catgo-LRG) into .claude/skills/strain-deformation in your project. Claude Code loads it when a task matches its description.

How do I install Strain Deformation in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill strain-deformation -a codex`. Or copy the skill folder (.claude/skills/structure-strain in Hello-QM/catgo-LRG) into .agents/skills/strain-deformation in your project. Codex loads it when a task matches its description.

Can I use Strain Deformation in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add Hello-QM/catgo-LRG --skill strain-deformation -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/strain-deformation, .gemini/skills/strain-deformation, .github/skills/strain-deformation and .opencode/skills/strain-deformation in your project.

What does Strain Deformation need to run?

SKILL.md names no scripts, command-line tools or credentials: Strain Deformation is instructions for the agent only.

Does Strain Deformation access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Strain Deformation safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Strain Deformation use?

Strain Deformation is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Strain Deformation use?

About 1.3k tokens (SKILL.md is roughly 5.1k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Strain Deformation?

Skills that share tags, products or a category with Strain Deformation: Lattice (ghbalf/freecad-ai, 552 stars), Lattice Crypto Attacks (yaklang/hack-skills, 2.4k stars), Tao Train Deformable Detr (NVIDIA/skills, 3.5k stars) and Bio Metagenomics Strain Tracking (FreedomIntelligence/OpenClaw-Medical-Skills, 3.1k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Strain Deformation?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.