| Property Definition (short name)
A common way to refer to the Property Definition. Note there may be multiple Property Definitions with the same short name, to fully distinguish between Property Definitions the full Tag URI must be used (the Property Definition ID).
| configuration-cluster-relaxed |
|---|---|
| Property Definition ID
The full Property Definition identifier using the Tag URI scheme.
| tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed |
| Title
A brief one-sentence description of this Property Definition.
| Static minimization of an isolated cluster of particles |
| Description
A description about this Property Definition.
| Energy (and, optionally, forces) of an isolated cluster of particles at zero absolute temperature in an unrelaxed configuration and a corresponding relaxed configuration. |
| Contributor
The user or organization who initially contributed this Property Definition.
| karls |
| Maintainer
The user or organization who currently maintains this Property Definition.
| karls |
| Creation date
The date the Property Definition was "minted", based on its Tag URI.
| 2014-04-15 |
| Content on GitHub
The following content may be available on GitHub: Property Definition (an EDN file containing the Property Definition Keys listed below); Physics Validator (a script provided by the user for validating that an instance of the Property is physically valid); Property Documentation Wiki (the contents of the Wiki displayed at the bottom of this page).
|
Property Definition Physics Validator Property Documentation Wiki |
| type | float |
|---|---|
| has-unit | true |
| extent | [":" 3] |
| required | true |
| description | The [x,y,z] coordinates of each particle in the relaxed configuration. |
| type | float |
|---|---|
| has-unit | true |
| extent | [] |
| required | true |
| description | The potential energy of a relaxed configuration. |
| type | string |
|---|---|
| has-unit | false |
| extent | [":"] |
| required | true |
| description | The element symbol for each particle. |
| type | float |
|---|---|
| has-unit | true |
| extent | [":" 3] |
| required | true |
| description | The [x,y,z] coordinates of each particle in the unrelaxed configuration. Corresponds to the initial guess used in the minimization. |
| type | float |
|---|---|
| has-unit | true |
| extent | [] |
| required | true |
| description | The potential energy of the unrelaxed configuration. Corresponds to the initial guess used in the minimization. |
| type | float |
|---|---|
| has-unit | true |
| extent | [":" 3] |
| required | false |
| description | The [x,y,z] components of the force on each particle in a relaxed configuration. These should be zero. The deviation is an indication of the accuracy of the relaxation. |
| type | float |
|---|---|
| has-unit | true |
| extent | [":" 3] |
| required | false |
| description | The [x,y,z] components of the force on each particle in the unrelaxed configuration. |