| Title
A single sentence description.
|
Verification check of atom energy for contributing and non-contributing atoms v001 |
|---|---|
| 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. A single mixed configuration is generated with all supported species randomly distributed. 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 |
There is a newer version of this item. See ContributingAtomEnergy__VC_154044441161_002 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 v001. OpenKIM; 2026. doi:10.25950/a3257e53 [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_001 |
| 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_001 |
| DOI |
10.25950/a3257e53 https://doi.org/10.25950/a3257e53 https://commons.datacite.org/doi.org/10.25950/a3257e53 |
| KIM Item Type | Verification Check |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 2.3 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
| Previous Version | ContributingAtomEnergy__VC_154044441161_000 |
Begin typing to select species to narrow the selection; multiple species may be selected.
| Model | Grade | Full Results | Link to Verification Results page | Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.
Measured in Millions of Whetstone Instructions (MWI) |
|---|---|---|---|---|
| EAM_Dynamo_FarkasMutasaVailhe_1995_NiAl__MO_956228243616_000 | N/A | Results | view | 19200 |
| Model | Grade | Full Results | Link to Verification Results page | Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.
Measured in Millions of Whetstone Instructions (MWI) |
|---|---|---|---|---|
| EAM_Dynamo_FarkasMutasaVailhe_1995_NiAl__MO_956228243616_000 | N/A | Results | view | 19200 |
| Model | Error Categories | Link to Error page |
|---|---|---|
| DUNN_Gupta_2026N1_Si__MO_246333365926_000 | other | view |
| DUNN_Gupta_2026N2_Si__MO_433917300633_000 | other | view |
| DUNN_Gupta_2026N3_Si__MO_798099350634_000 | other | view |
| DUNN_WenTadmor_2019v1_C__MO_584345505904_001 | other | view |
| DUNN_WenTadmor_2019v2_C__MO_956135237832_001 | other | view |
| DUNN_WenTadmor_2019v3_C__MO_714772088128_001 | other | view |