This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/reference_frames
Definition name: reference_frames
Property name: reference frames
Description: The indices of a set of frames that give a good but very brief overview of the trajectory.
The first reference frame could for example be a starting configuration, the second a transition state and the third the final state.
Type: list
Requirements/Conventions:
Examples:
[0, 397, 1000]JSON definition:
{
"$id": "https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/reference_frames",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "reference frames",
"x-optimade-type": "list",
"x-optimade-definition": {
"label": "reference_frames_optimade_trajectories",
"kind": "property",
"version": "1.3.0",
"format": "1.3",
"name": "reference_frames"
},
"x-optimade-dimensions": {
"names": [
"dim_trajectory_reference_frames"
],
"sizes": [
null
]
},
"type": [
"array",
"null"
],
"description": "The indices of a set of frames that give a good but very brief overview of the trajectory.\nThe first reference frame could for example be a starting configuration, the second a transition state and the third the final state.\n\n**Requirements/Conventions**:\n\n- The values MUST be larger than or equal to 0 and less than nframes.",
"examples": [
[
0,
397,
1000
]
],
"x-optimade-unit": "inapplicable",
"items": {
"x-optimade-type": "integer",
"type": [
"integer"
],
"x-optimade-unit": "inapplicable",
"description": "A frame index. It MUST be larger than or equal to 0 and less than nframes.",
"examples": [
397
]
}
}