| Title
A single sentence description.
|
LatticeConstantCubicEnergy_diamond_Kr |
|---|---|
| Description | |
| Species
The supported atomic species.
| Kr |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
Computer generated |
| Contributor |
Matt Bierbaum |
| Maintainer |
Matt Bierbaum |
| Published on KIM | 2014 |
| How to Cite | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_655555872846_000 |
| 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.
| LatticeConstantCubicEnergy_diamond_Kr__TE_655555872846_000 |
| Citable Link | https://openkim.org/cite/TE_655555872846_000 |
| KIM Item Type | Test |
| Driver | LatticeConstantCubicEnergy__TD_475411767977_000 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 1.5 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
| LatticeConstantCubicEnergy_diamond_Kr__TE_655555872846_000.txz | Tar+XZ | Linux and OS X archive |
| LatticeConstantCubicEnergy_diamond_Kr__TE_655555872846_000.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver LatticeConstantCubicEnergy__TD_475411767977_000 appear below.
| LatticeConstantCubicEnergy__TD_475411767977_000.txz | Tar+XZ | Linux and OS X archive |
| LatticeConstantCubicEnergy__TD_475411767977_000.zip | Zip | Windows archive |
This model contains the parameters for Si–C interaction from Tersoff’s multicomponent potential. Please note that the original paper contains two typos for the C–C interaction, which is given correctly in the earlier description of the carbon parameters and in the erratum. The present model uses the correct parameters, although Tersoff notes in the erratum that the errors seem to be too small to be of much consequence.