| Title
A single sentence description.
|
Verification check of atom energy for contributing and non-contributing atoms v002 |
|---|---|
| Description | Determines whether the per-atom energy of non-contributing atoms is zero, and if the total energy is equal to the sum of per-atom energies, based on a face-centered cubic (fcc) structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Atoms are defined as either contributing, where they contribute to the total system energy, or non-contributing, in which the per-atom energy should be zero. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Chloe Zeller |
| Maintainer |
Chloe Zeller |
| Developer |
Chloe Zeller Navaneeth Mohan |
| Published on KIM | 2026 |
| How to Cite |
This Verification Check is archived in OpenKIM [1-3]. [1] Zeller C, Mohan N. Verification check of atom energy for contributing and non-contributing atoms v002. OpenKIM; 2026. doi:10.25950/dcc396b6 [2] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [3] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| VC_154044441161_002 |
| Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
| ContributingAtomEnergy__VC_154044441161_002 |
| DOI |
10.25950/dcc396b6 https://doi.org/10.25950/dcc396b6 https://commons.datacite.org/doi.org/10.25950/dcc396b6 |
| KIM Item Type | Verification Check |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 2.4 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
| none |
| Previous Version | ContributingAtomEnergy__VC_154044441161_001 |
Begin typing to select species to narrow the selection; multiple species may be selected.