httk
httk property definitionsProperty definitions using the OPTIMADE property definition format, hosted by httk
Note: prerelease version v0.1, subject to change

Frame stresses (property)

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

ID: https://schemas.httk.org/defs/v0.1/properties/trajectories/frame_stresses
Definition name: frame_stresses

Property name: Frame stresses
Description: The stress tensor of each frame of a trajectory, aligned with the trajectory frame axis (dim_frames). Each tensor is given in Voigt order [xx, yy, zz, yz, xz, xy], with tensile stress positive, in gigapascal (GPa; 1 GPa = 10^9 Pa). A null value indicates that the stress tensor of the corresponding frame is unknown.
Type: list

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.httk.org/defs/v0.1/properties/trajectories/frame_stresses",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Frame stresses",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "frame_stresses",
        "label": "frame_stresses_trajectories_httk"
    },
    "x-optimade-unit": "GPa",
    "x-optimade-unit-definitions": [
        {
            "$id": "https://schemas.httk.org/defs/v0.1/units/si/general/gigapascal",
            "title": "gigapascal",
            "symbol": "GPa",
            "display-symbol": "GPa",
            "description": "A unit of pressure and stress equal to 10^9 pascals.",
            "x-optimade-definition": {
                "label": "gigapascal_si_general",
                "kind": "unit",
                "format": "1.2",
                "version": "0.1.0",
                "name": "gigapascal"
            }
        }
    ],
    "x-optimade-dimensions": {
        "names": [
            "dim_frames"
        ],
        "sizes": [
            null
        ]
    },
    "type": [
        "array",
        "null"
    ],
    "items": {
        "x-optimade-type": "list",
        "x-optimade-unit": "inapplicable",
        "x-optimade-dimensions": {
            "names": [
                "dim_voigt"
            ],
            "sizes": [
                6
            ]
        },
        "type": [
            "array",
            "null"
        ],
        "items": {
            "x-optimade-type": "float",
            "x-optimade-unit": "GPa",
            "type": [
                "number"
            ]
        }
    },
    "description": "The stress tensor of each frame of a trajectory, aligned with the trajectory frame axis (`dim_frames`).\nEach tensor is given in Voigt order [xx, yy, zz, yz, xz, xy], with tensile stress positive, in gigapascal (GPa; 1 GPa = 10^9 Pa).\nA `null` value indicates that the stress tensor of the corresponding frame is unknown."
}