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_temperatures
Definition name: frame_temperatures
Property name: Frame temperatures
Description: The instantaneous temperature of each frame of a trajectory, in kelvin, aligned with the trajectory frame axis (dim_frames).
A null value indicates that the temperature of the corresponding frame is unknown.
Type: list
Examples:
JSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/trajectories/frame_temperatures",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "Frame temperatures",
"x-optimade-type": "list",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "frame_temperatures",
"label": "frame_temperatures_trajectories_httk"
},
"x-optimade-unit": "K",
"x-optimade-unit-definitions": [
{
"$id": "https://schemas.optimade.org/defs/v1.2/units/si/general/kelvin",
"title": "kelvin",
"symbol": "K",
"display-symbol": "K",
"description": "A unit of thermodynamic temperature using the current, or one of the historical, definitions of the SI units.\n\nThe current definition at the 26th CGPM Meeting in 2018, resolution 1 is: \"The kelvin, symbol K, is the SI unit of thermodynamic temperature. It is defined by taking the fixed numerical value of the Boltzmann constant k to be 1.380649\u00d710\u207b\u00b2\u00b3 when expressed in the unit J\u22c5K\u207b\u00b9, which is equal to kg\u22c5m\u00b2\u22c5s\u207b\u00b2\u22c5K\u207b\u00b9, where the kilogram, metre and second are defined in terms of \\(h\\), \\(c\\) and \\(\\Delta \\nu_\\textrm{Cs}\\).\" [26th CGPM Meeting (2018), resolution 1].\n\nThe prior definition at the 13th CGPM Meeting in 1967, resolution 4, was: \"The kelvin, unit of thermodynamic temperature, is the fraction 1/273.16 of the thermodynamic temperature of the triple point of water.\"\nThis definition changed the symbol and rephrased the definition of the unit \"degree Kelvin\" from the 10th CGPM meeting in 1954: \"The 10th Conf\u00e9rence G\u00e9n\u00e9rale des Poids et Mesures decides to define the thermodynamic temperature scale by choosing the triple point of water as the fundamental fixed point, and assigning to it the temperature 273.16 degrees Kelvin, exactly.\"\n\nThis is a generalized definition taken to reference the current, or one of the historical, SI unit definitions.\nThis definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions.",
"compatibility": [
"https://schemas.optimade.org/defs/v1.2/units/si/1967/base/kelvin",
"https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kelvin",
"https://schemas.optimade.org/defs/v1.2/units/si/1960/base/degreekelvin"
],
"resources": [
{
"relation": "Definition in the 26th CGPM Meeting in 2018, resolution 1",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1"
},
{
"relation": "Definition in the International System of Units (SI), 9th Edition",
"resource-id": "https://www.bipm.org/en/publications/si-brochure"
},
{
"relation": "Wikipedia article describing the unit",
"resource-id": "https://en.wikipedia.org/wiki/Kelvin"
}
],
"x-optimade-definition": {
"label": "kelvin_si_general",
"kind": "unit",
"format": "1.2",
"version": "1.2.0",
"name": "kelvin"
}
}
],
"x-optimade-dimensions": {
"names": [
"dim_frames"
],
"sizes": [
null
]
},
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "float",
"x-optimade-unit": "K",
"type": [
"number",
"null"
]
},
"description": "The instantaneous temperature of each frame of a trajectory, in kelvin, aligned with the trajectory frame axis (`dim_frames`).\nA `null` value indicates that the temperature of the corresponding frame is unknown."
}