| Title
A single sentence description.
|
Cohesive energy versus lattice constant curve for fcc Boron |
|---|---|
| Description | This Test computes an energy vs. lattice constant curve for fcc Boron. The curve is computed for lattice constants ranging from 0.8*a_0 to 1.5*a_0, where a_0 represents the equilibrium lattice constant. The value for a_0 is obtained by querying the KIM database for the results of LatticeConstantCubicEnergy_fcc_B when paired against the Model being used. |
| Species
The supported atomic species.
| B |
| 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 | 2018 |
| How to Cite | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_734841305402_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.
| CohesiveEnergyVsLatticeConstant_fcc_B__TE_734841305402_002 |
| Citable Link | https://openkim.org/cite/TE_734841305402_002 |
| KIM Item Type | Test |
| Driver | CohesiveEnergyVsLatticeConstant__TD_554653289799_002 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 2.0 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
This Simulator Name is inhereted from the Test Driver.
| LAMMPS |
| 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 | CohesiveEnergyVsLatticeConstant_fcc_B__TE_734841305402_001 |
| Model | Error Categories | Link to Error page |
|---|---|---|
| LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 | other | view |
| CohesiveEnergyVsLatticeConstant_fcc_B__TE_734841305402_002.txz | Tar+XZ | Linux and OS X archive |
| CohesiveEnergyVsLatticeConstant_fcc_B__TE_734841305402_002.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_002 appear below.
| CohesiveEnergyVsLatticeConstant__TD_554653289799_002.txz | Tar+XZ | Linux and OS X archive |
| CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip | Zip | Windows archive |