Identify Diamond Structure

Parameters

This plugin takes no configurable parameters. It runs a fixed 4-nearest-neighbor diamond classifier over each frame.

Output

The plugin writes two parquet files per frame.

{outputBase}_atoms.parquet

Per-atom data in AtomisticExporter format, consumed by the VOLT viewer for 3D rendering. Atoms are bucketed by their diamond structure name (e.g. CUBIC_DIAMOND, HEX_DIAMOND, OTHER).

interface Atom {
    id: int;
    pos: [float, float, float];
    structure_id: int;
    structure_name: string;
    cluster_id: int;
    // 0=OTHER, 5=CUBIC_DIAMOND, 6=HEX_DIAMOND,
    // 9=CUBIC_DIAMOND_FIRST_NEIGH, 10=CUBIC_DIAMOND_SECOND_NEIGH,
    // 11=HEX_DIAMOND_FIRST_NEIGH, 12=HEX_DIAMOND_SECOND_NEIGH
    structure_type: int64;
}

Surfaced in VOLT as the Diamond Structure exposure and exported as a .glb scene.

{outputBase}_identify_diamond.parquet

Frame-level summary counts (listing-only; no exported artifact).

interface IdentifyDiamondOutput {
    main_listing: {
        total_atoms: int;
        OTHER: int;
        CUBIC_DIAMOND: int;
        CUBIC_DIAMOND_FIRST_NEIGH: int;
        CUBIC_DIAMOND_SECOND_NEIGH: int;
        HEX_DIAMOND: int;
        HEX_DIAMOND_FIRST_NEIGH: int;
        HEX_DIAMOND_SECOND_NEIGH: int;
    };
}

Surfaced in VOLT as the Diamond Summary exposure.

See Also

• Adaptive Common Neighbor Analysis — CNA-based local structure classification
• Polyhedral Template Matching — robust structure identification under thermal noise
• CHILL+ — identifies ice-like and tetrahedral structures