This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.anyterial.se/defs/v0.1/properties/transformations/continuous_normalizer
Definition name: continuous_normalizer
Property name: Continuous normalizer
Description: Parameterized continuous normalizer subspace for a setting.
Type: dictionary
It describes continuous origin-shift freedoms by dimension and fractional-coordinate basis vectors rather than by enumerating infinitely many operations.
Requirements/Conventions:
It MUST be a dictionary with the following keys:
dimension: OPTIONAL; Integer.
Dimension of the continuous parameter subspace.
When present, it MUST equal the length of basis_vectors.
basis_vectors: REQUIRED; List of vectors. Basis vectors spanning the continuous normalizer parameter space. Each basis vector is represented as exact fractional-coordinate components.
coordinate_system: OPTIONAL; String. Coordinate system used for the parameter vectors.
representation: OPTIONAL; String. Textual description of the parameterized representation.
Examples:
{"dimension": 3, "coordinate_system": "fractional", "basis_vectors": [["1", "0", "0"], ["0", "1", "0"], ["0", "0", "1"]]}JSON definition:
{
"$id": "https://schemas.anyterial.se/defs/v0.1/properties/transformations/continuous_normalizer",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "Continuous normalizer",
"x-optimade-type": "dictionary",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "continuous_normalizer",
"label": "continuous_normalizer_transformations"
},
"x-optimade-unit": "inapplicable",
"type": [
"object",
"null"
],
"description": "Parameterized continuous normalizer subspace for a setting.\n\nIt describes continuous origin-shift freedoms by dimension and fractional-coordinate basis vectors rather than by enumerating infinitely many operations.\n\n**Requirements/Conventions**:\n\n- It MUST be a dictionary with the following keys:\n\n - **dimension**: OPTIONAL; Integer.\n Dimension of the continuous parameter subspace.\n When present, it MUST equal the length of `basis_vectors`.\n\n - **basis\\_vectors**: REQUIRED; List of vectors.\n Basis vectors spanning the continuous normalizer parameter space.\n Each basis vector is represented as exact fractional-coordinate components.\n\n - **coordinate\\_system**: OPTIONAL; String.\n Coordinate system used for the parameter vectors.\n\n - **representation**: OPTIONAL; String.\n Textual description of the parameterized representation.",
"properties": {
"dimension": {
"x-optimade-type": "integer",
"x-optimade-unit": "inapplicable",
"type": [
"integer",
"null"
],
"description": "Dimension of the continuous parameter subspace. When present, it MUST equal the length of `basis_vectors`."
},
"basis_vectors": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"description": "Basis vectors spanning the continuous normalizer parameter space.",
"items": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"x-optimade-dimensions": {
"names": [
"dim_lattice"
],
"sizes": [
3
]
},
"type": [
"array"
],
"description": "One basis vector in fractional coordinates.",
"items": {
"$id": "https://schemas.anyterial.se/defs/v0.1/properties/core/fraction",
"title": "Fraction",
"x-optimade-type": "string",
"x-optimade-definition": {
"label": "fraction_core",
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "fraction"
},
"type": [
"string",
"null"
],
"description": "A numerical representation formed as the quotient of two numbers represented as a string.",
"examples": [
"2/3",
"5/42",
"10",
"0"
],
"x-optimade-unit": "inapplicable"
}
}
},
"coordinate_system": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string",
"null"
],
"description": "Coordinate system used for the parameter vectors."
},
"representation": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string",
"null"
],
"description": "Textual description of the parameterized representation."
}
},
"examples": [
{
"dimension": 3,
"coordinate_system": "fractional",
"basis_vectors": [
[
"1",
"0",
"0"
],
[
"0",
"1",
"0"
],
[
"0",
"0",
"1"
]
]
}
]
}