general-property-units

general-property-units is a skill for Claude Code, Codex from learningmatter-mit/AtomisticSkills. It costs 30 tokens per session (2,296 once invoked), scanned A, original, MIT.

A reference guide for energy, force, and stress units used in atomistic simulations, where computers model the behavior of atoms. It explains the project’s standard units and how different machine-learning models and calculators report them.

In plain words
What is it for?
Use it to check energy, force, and stress units and conversions across machine-learning interatomic potentials, density-functional-theory codes, and ASE.
Why use it?
It prevents mistakes when comparing results from different simulation tools that may use different units or apply conversions at different stages.

Skill for Claude CodeCodex

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

agentmods
npx agentmods add skills/learningmatter-mit/atomisticskills/general-property-units
Any agent
npx skills add learningmatter-mit/AtomisticSkills --skill general-property-units
Clone the repo
git clone --depth 1 https://github.com/learningmatter-mit/AtomisticSkills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for general-property-units

README.md
[![agentmods](https://agentmods.dev/badge/skills/learningmatter-mit/atomisticskills/general-property-units.svg)](https://agentmods.dev/skills/learningmatter-mit/atomisticskills/general-property-units)
Your own site
<a href="https://agentmods.dev/skills/learningmatter-mit/atomisticskills/general-property-units"><img src="https://agentmods.dev/badge/skills/learningmatter-mit/atomisticskills/general-property-units.svg" alt="Measured on agentmods" height="20"></a>
Per session 30 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,296 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5 $0.00030 $0.02296
Opus 5 $0.00015 $0.01148
Sonnet 5 $0.00006 $0.00459
Haiku 4.5 $0.00003 $0.00230

Measured 4d ago against content hash 4a5dd9579786, method: parsed. Prices are Anthropic first-party input rates as of 2026-08-30, from the pricing page.

Security

Grade A, and why

general-property-units scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 4d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

.agents/skills/general-property-units/SKILL.md · 160 lines

How it starts

The opening of the file, as written. The whole thing — 160 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Units Reference for Atomistic Simulations

Goal

Provide a single authoritative reference for units of energy, forces, and stress across all MLIPs, DFT codes, and simulation tools used in this project, including the conversions applied internally.

Project Standard

All internal representations follow the ASE (Atomic Simulation Environment) convention:

Quantity Standard Unit Notes
Energy eV Total energy of the system
Energy per atom eV/atom Used for MAE reporting and training labels
Forces eV/Å Negative gradient of energy w.r.t. position
Stress eV/ų Voigt notation, 6-component (xx, yy, zz, yz, xz, xy)

MLIP Model Units

Prediction (Inference)

The raw torch model and the ASE calculator do not return the same stress units. Most calculators apply a unit conversion on the way out; two do not. Read the stress column for the layer you are actually calling.

Energy is eV and forces are eV/Å everywhere, at both layers. Only stress varies:

Model (calculator class) raw model output ASE calculator output conversion in the ASE layer
MACE (MACECalculator) eV/ų eV/ų none
UMA / FairChem (FAIRChemCalculator) eV/ų eV/ų none
CHGNet standalone (CHGNetCalculator) GPa eV/ų × stress_weight, default 1/160.21766208
CHGNet / M3GNet / TensorNet via MatGL (PESCalculator) GPa GPa unless asked otherwise none by default — pass stress_unit="eV/A3"

Measured on one compressed Si cell (xx component), 2026-08-25:

path raw calculator default calculator eV/ų
MACE-MP small -0.0762876 -0.0762876
UMA uma-s-1p1 (omat) -0.0821809 -0.0821810
CHGNet standalone 0.4.2 -13.906347 -0.0867966
MatGL TensorNet-PES-MatPES-PBE-2025.2 -10.780773 -10.780773 -0.067288
MatGL CHGNet-PES-MatPES-PBE-2025.2.10 -15.229350 -0.095054
MatGL M3GNet-PES-MatPES-2025.2 -20.293510 -0.126662

Read the full file on GitHub · 160 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 4d ago First seen · 160 lines · 30 tokens per session scan A 4a5dd9579786

Subscribe to this mod's changes

general-property-units is a skill published in the GitHub repository learningmatter-mit/AtomisticSkills (158 stars, last pushed today), licensed MIT. It adds 30 tokens to every session and 2,296 once invoked, about $0.0002 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Related

Other skills, from other repositories

gradio-themes

Build and customise Gradio themes. Use when creating, editing, or publishing Python-based Gradio themes that control colours, typography, spacing, shadows, and dark mode.

gradio-app/gradio · 39 tokens

fixing-streamlit-ci

Analyze and fix failed GitHub Actions CI jobs for the current branch/PR. Use when CI checks fail, PR checks show failures, or you need to diagnose lint/type/test errors and verify fixes locally.

streamlit/streamlit · 47 tokens

hf-gradio

Use Gradio applications via API. Use when the user asks for to generate a prediction from a Gradio app on Hugging Face spaces or public URL. For example, "Generate an image using black-forest-labs/FLUX.2-dev".

gradio-app/gradio · 55 tokens

hugging-face-paper-publisher

Publish and manage research papers on Hugging Face Hub. Supports creating paper pages, linking papers to models/datasets, claiming authorship, and generating professional markdown-based research articles.

patchy631/ai-engineering-hub · 42 tokens

reviewing-readability

Evaluates comments, docstrings, and naming in code for readability by a developer new to the codebase — is the documentation clear and concise, and is non-obvious logic documented? Produces findings with concrete proposed rewrites (or additions where documentation is missing); the caller decides whether to apply them…

streamlit/streamlit · 108 tokens

reviewing-pr-description

Evaluates a PR's title and description for readability — do they clearly and concisely convey what changed and why to a reviewer? Produces findings with concrete proposed rewrites; the caller decides whether to apply them or present them as feedback. Use when finalizing a PR or reviewing PR metadata. For code…

streamlit/streamlit · 81 tokens