build_structure
Construct an ASE structure from a declarative specification, supporting bulk, molecule, and surface types with optional rattling.
Instructions
Build an ASE structure from a declarative spec and register it.
Examples: {"kind":"bulk","name":"Cu","crystalstructure":"fcc","a":3.6,"repeat":[2,2,2]} {"kind":"molecule","name":"H2O"} {"kind":"surface","name":"Pt","size":[2,2,4],"vacuum":10.0} Add "rattle": 0.1 to perturb positions (good for testing relaxation).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| spec | Yes |