| Title
A single sentence description.
|
Verification check of negative forces by computing gradient of particle energy with respect to neighbor-particle distances v001 |
|---|---|
| Description | The first-derivative of a particle's energies (Ei) with respect to neighbor distances (rij) are summed over all neighbor particles (j) and compared to the total forces acting on the central particle (i) for a randomly distorted non-periodic structure based off the working face-centered cubic (fcc) configuration. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. The configuration used for testing is provided as an auxiliary file |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Navaneeth Mohan |
| Maintainer |
Navaneeth Mohan |
| Developer | Navaneeth Mohan |
| Published on KIM | 2026 |
| How to Cite |
This Verification Check is archived in OpenKIM [1-3]. [1] Mohan N. Verification check of negative forces by computing gradient of particle energy with respect to neighbor-particle distances v001. OpenKIM; 2026. doi:10.25950/64ffb655 [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_607859575517_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.
| ProcessDeDr__VC_607859575517_001 |
| DOI |
10.25950/64ffb655 https://doi.org/10.25950/64ffb655 https://commons.datacite.org/doi.org/10.25950/64ffb655 |
| 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 | ProcessDeDr__VC_607859575517_000 |
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