| Title
A single sentence description.
|
LammpsExample2_diamond_Si: energy-volume curve of diamond Silicon |
|---|---|
| Description |
This example Test illustrates the use of LAMMPS in the openkim-pipeline to compute an energy vs. lattice constant curve for diamond Silicon. The curve is computed for lattice constants ranging from Angstroms to Angstroms, with most lattice spacings sampled about Angstroms. |
| Species
The supported atomic species.
| Si |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Daniel S. Karls |
| Maintainer |
Daniel S. Karls |
| 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_837477125670_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.
| LammpsExample2_diamond_Si__TE_837477125670_001 |
| Citable Link | https://openkim.org/cite/TE_837477125670_001 |
| KIM Item Type | Test |
| Driver | LammpsExample2__TD_887699523131_001 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 1.6 |
| 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 | LammpsExample2_diamond_Si__TE_837477125670_000 |
| LammpsExample2_diamond_Si__TE_837477125670_001.txz | Tar+XZ | Linux and OS X archive |
| LammpsExample2_diamond_Si__TE_837477125670_001.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver LammpsExample2__TD_887699523131_001 appear below.
| LammpsExample2__TD_887699523131_001.txz | Tar+XZ | Linux and OS X archive |
| LammpsExample2__TD_887699523131_001.zip | Zip | Windows archive |