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/fractional_coordinate_precision
Definition name: fractional_coordinate_precision
Property name: Fractional coordinate precision
Description: The absolute precision of a set of fractional coordinates, in fractional units.
Type: float
This describes how precisely the coordinates were stated by the source they came from,
which is generally coarser than the precision of the numbers as stored. A source that
writes a coordinate as 0.3333 claims it to about 0.0001 of a cell edge, however many
binary digits the value later occupies. It is the natural basis for choosing a matching
tolerance, a symmetry-detection parameter, or a grid spacing, in place of an arbitrary
constant.
Requirements/Conventions:
0.0001
and one near 0.9999 written to the same number of decimals have the same precision.length_precision.null MUST be used where the precision is unknown or where the source
states an exact value rather than a measured one.Examples:
0.00010.001JSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/core/fractional_coordinate_precision",
"$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
"title": "Fractional coordinate precision",
"x-optimade-type": "float",
"x-optimade-definition": {
"label": "fractional_coordinate_precision_core",
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "fractional_coordinate_precision"
},
"type": [
"number",
"null"
],
"description": "The absolute precision of a set of fractional coordinates, in fractional units.\n\nThis describes how precisely the coordinates were *stated* by the source they came from,\nwhich is generally coarser than the precision of the numbers as stored. A source that\nwrites a coordinate as `0.3333` claims it to about `0.0001` of a cell edge, however many\nbinary digits the value later occupies. It is the natural basis for choosing a matching\ntolerance, a symmetry-detection parameter, or a grid spacing, in place of an arbitrary\nconstant.\n\n**Requirements/Conventions**:\n\n- The value is an **absolute** bound on the deviation from the intended value, not a\n relative precision and not a count of significant figures. A coordinate near `0.0001`\n and one near `0.9999` written to the same number of decimals have the same precision.\n- The value is **dimensionless**, being a fraction of a cell edge. Multiplying by a cell\n length gives the corresponding precision as a distance; see\n [`length_precision`](https://schemas.httk.org/defs/v0.1/properties/core/length_precision).\n- Where a set of coordinates is described by a single value, it SHOULD be the **coarsest**\n precision among them, since the set as a whole is only as precisely stated as its least\n precisely stated member.\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- 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 or where the source\n states an exact value rather than a measured one.",
"examples": [
0.0001,
0.001
],
"x-optimade-unit": "inapplicable"
}