A single sentence description.
|Cohesive energy versus lattice constant curve for bcc Sc v004|
|Description||This Test computes an energy vs. lattice constant curve for bcc Sc. The curve is computed for lattice constants ranging from 0.5*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_bcc_Sc when paired against the Model being used.|
The supported atomic species.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Daniel S. Karls|
Daniel S. Karls|
|Developer||Daniel S. Karls|
|Published on KIM||2022|
|How to Cite||
This Test is archived in OpenKIM [1-4].
 Cohesive energy versus lattice constant curve for bcc Sc v004. OpenKIM; 2022.
 Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003. OpenKIM; 2019. doi:10.25950/64cb38c5
 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
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
|Short KIM ID
The unique KIM identifier code.
|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.
|KIM Item Type||Test|
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
|KIM API Version||2.2|
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
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|Model||Test Results||Link to Test 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)
|CohesiveEnergyVsLatticeConstant_bcc_Sc__TE_067955857572_004.txz||Tar+XZ||Linux and OS X archive|
This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_003 appear below.
|CohesiveEnergyVsLatticeConstant__TD_554653289799_003.txz||Tar+XZ||Linux and OS X archive|