list of number of sites (property)

This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.

ID: https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/nsites
Definition name: nsites

Property name: list of number of sites
Description: A list of nsites items. An nsites item is an integer specifying the length of a corresponding cartesian_site_positions property (usually in reference to a parallel list of other structure properties).
Type: list

For each nsites item the following applies:

Requirements/Conventions:

Query examples:

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/nsites",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "list of number of sites",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "label": "nsites_optimade_trajectories",
        "kind": "property",
        "version": "1.3.0",
        "format": "1.3",
        "name": "nsites"
    },
    "x-optimade-dimensions": {
        "names": [
            "dim_frames"
        ],
        "compactable": [
            "constant"
        ],
        "sizes": [
            null
        ]
    },
    "type": [
        "array",
        "null"
    ],
    "description": "A list of nsites items.\nAn nsites item is an integer specifying the length of a corresponding `cartesian_site_positions` property (usually in reference to a parallel list of other structure properties).\n\nFor each nsites item the following applies:\n\n**Requirements/Conventions**:\n\n- MUST be equal to the lengths of the list properties elements and elements_ratios, if they are provided.\n\n**Query examples**:\n\n- Match only structures with exactly 4 sites: `nsites=4`\n- Match structures that have between 2 and 7 sites: `nsites>=2 AND nsites<=7`",
    "examples": [
        [
            42
        ],
        [
            42,
            4711
        ]
    ],
    "x-optimade-unit": "inapplicable",
    "items": {
        "$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nsites",
        "title": "number of sites",
        "x-optimade-type": "integer",
        "x-optimade-definition": {
            "label": "nsites_optimade_structures",
            "kind": "property",
            "version": "1.2.0",
            "format": "1.2",
            "name": "nsites"
        },
        "type": [
            "integer",
            "null"
        ],
        "description": "An integer specifying the length of the `cartesian_site_positions` property.\n\n**Requirements/Conventions**:\n\n- MUST be equal to the lengths of the list properties elements and elements_ratios, if they are provided.\n\n**Query examples**:\n\n- Match only structures with exactly 4 sites: `nsites=4`\n- Match structures that have between 2 and 7 sites: `nsites>=2 AND nsites<=7`",
        "examples": [
            42
        ],
        "x-optimade-unit": "dimensionless"
    }
}