Overview

Mechanism configurations are contained in a single JSON or YAML file.

At the highest level, the configuration file contains information about the name of the mechanism, the version of Mechanism Configuration being used, and the three main components of the mechanism:

YAML

version: 1.0.0
name: My Mechanism
species:
  - ...
phases:
  - ...
reactions:
  - ...

JSON

{
  "version": "1.0.0",
  "name": "My Mechanism",
  "species": [
    "..."
  ],
  "phases": [
    "..."
  ],
  "reactions": [
    "..."
  ]
}

The three main components of a mechanism configuration are described here:

Chemical Species

Phases

Reactions