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

Length precision (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/core/length_precision
Definition name: length_precision

Property name: Length precision
Description: The absolute precision of a stated length, in ångström.
Type: float

This describes how precisely a length was stated by the source it came from, rather than the precision of the number as stored. A cell edge written 5.6402 claims a precision of about 0.0001 ångström; one written 5.6402(3) claims 0.0003, since an explicitly stated uncertainty overrides what the digits alone would imply.

Requirements/Conventions:

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.httk.org/defs/v0.1/properties/core/length_precision",
    "$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
    "title": "Length precision",
    "x-optimade-type": "float",
    "x-optimade-definition": {
        "label": "length_precision_core",
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "length_precision"
    },
    "type": [
        "number",
        "null"
    ],
    "description": "The absolute precision of a stated length, in \u00e5ngstr\u00f6m.\n\nThis describes how precisely a length was *stated* by the source it came from, rather\nthan the precision of the number as stored. A cell edge written `5.6402` claims a\nprecision of about `0.0001` \u00e5ngstr\u00f6m; one written `5.6402(3)` claims `0.0003`, since an\nexplicitly stated uncertainty overrides what the digits alone would imply.\n\n**Requirements/Conventions**:\n\n- The value is an **absolute** bound on the deviation from the intended value, in the same\n  units as the length it describes, and is neither a relative precision nor a count of\n  significant figures.\n- Where a set of lengths is described by a single value, it SHOULD be the **coarsest**\n  precision among them.\n- Where a source states both a number of digits and an explicit standard uncertainty, the\n  value SHOULD be the larger of the two, that being the weaker and therefore the safer\n  claim.\n- Precisions of quantities in other units, such as the angles of a unit cell, MUST NOT be\n  combined into this value; they are not lengths and combining them would produce a\n  quantity in no units at all.\n- The value MUST be strictly positive. A value of zero would assert exactness, which is a\n  different claim; `null` MUST be used where the precision is unknown.",
    "examples": [
        0.0001,
        0.0003
    ],
    "x-optimade-unit": "angstrom"
}