list of number of periodic dimensions (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/nperiodic_dimensions
Definition name: nperiodic_dimensions

Property name: list of number of periodic dimensions
Description: A list of nperiodic_dimensions items. An nperiodic_dimensions item is an integer specifying the number of periodic dimensions in the structure, equivalent to the number of non-zero entries in dimension_types.
Type: list

For each nperiodic_dimensions item the following applies:

Requirements/Conventions:

Explained examples

Query examples:

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/nperiodic_dimensions",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "list of number of periodic dimensions",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "label": "nperiodic_dimensions_optimade_trajectories",
        "kind": "property",
        "version": "1.3.0",
        "format": "1.3",
        "name": "nperiodic_dimensions"
    },
    "x-optimade-dimensions": {
        "names": [
            "dim_frames"
        ],
        "sizes": [
            null
        ],
        "compactable": [
            "constant"
        ]
    },
    "type": [
        "array",
        "null"
    ],
    "description": "A list of nperiodic_dimensions items.\nAn nperiodic_dimensions item is an integer specifying the number of periodic dimensions in the structure, equivalent to the number of non-zero entries in `dimension_types`.\n\nFor each nperiodic_dimensions item the following applies:\n\n**Requirements/Conventions**:\n\n- The integer value MUST be between 0 and 3 inclusive and MUST be equal to the sum of the items in the dimension_types property.\n\n- This property only reflects the treatment of the lattice vectors provided for the structure, and not any physical interpretation of the dimensionality of its contents.\n\n**Explained examples**\n\n- `2` should be indicated in cases where dimension_types is any of `[1, 1, 0]`, `[1, 0, 1]`, `[0, 1, 1]`.\n\n**Query examples**:\n\n- Match only structures with exactly 3 periodic dimensions: `nperiodic_dimensions=3`\n- Match all structures with 2 or fewer periodic dimensions: `nperiodic_dimensions<=2`",
    "examples": [
        [
            2,
            2,
            1
        ]
    ],
    "x-optimade-unit": "inapplicable",
    "items": {
        "$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nperiodic_dimensions",
        "title": "number of periodic dimensions",
        "x-optimade-type": "integer",
        "x-optimade-definition": {
            "label": "nperiodic_dimensions_optimade_structures",
            "kind": "property",
            "version": "1.2.0",
            "format": "1.2",
            "name": "nperiodic_dimensions"
        },
        "type": [
            "integer",
            "null"
        ],
        "description": "An integer specifying the number of periodic dimensions in the structure, equivalent to the number of non-zero entries in `dimension_types`.\n\n**Requirements/Conventions**:\n\n- The integer value MUST be between 0 and 3 inclusive and MUST be equal to the sum of the items in the dimension_types property.\n\n- This property only reflects the treatment of the lattice vectors provided for the structure, and not any physical interpretation of the dimensionality of its contents.\n\n**Explained examples**\n\n- `2` should be indicated in cases where dimension_types is any of `[1, 1, 0]`, `[1, 0, 1]`, `[0, 1, 1]`.\n\n**Query examples**:\n\n- Match only structures with exactly 3 periodic dimensions: `nperiodic_dimensions=3`\n- Match all structures with 2 or fewer periodic dimensions: `nperiodic_dimensions<=2`",
        "examples": [
            2
        ],
        "x-optimade-unit": "dimensionless"
    }
}