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7 changes: 7 additions & 0 deletions README.md
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Expand Up @@ -21,3 +21,10 @@ represntations for chemistry, and to document those representations more
formally than has been done in the past.

[Chemical_JSON]: http://wiki.openchemistry.org/Chemical_JSON

## Documentation

Project documentation is available in the [docs directory](./docs).
This content is migrated from the archived Open Chemistry wiki and
serves as a centralized reference until a dedicated documentation
site is available.
24 changes: 24 additions & 0 deletions docs/overview.md
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# ChemicalJSON

## Purpose

ChemicalJSON is a JSON-based format for representing chemical data
in a structured and machine-readable way. It is designed to support
storage, exchange, and processing of chemical information across
different tools and programming languages.

## Basic Structure

A ChemicalJSON document typically includes:

- Metadata such as molecule name and formula
- Atomic information (elements, coordinates)
- Optional properties such as unit cells, energies, or orbitals

The format is designed to be extensible, allowing new properties
to be added without breaking existing tools.

## Examples

See the [examples directory](../examples) for concrete examples of
ChemicalJSON files, including small molecules and periodic systems.