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A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Ir v004
Description Computes the formation energy of several high-symmetry surfaces in fcc Ir and uses them to fit a broken-bond model
The supported atomic species.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Matt Bierbaum
Maintainer Matt Bierbaum
Published on KIM 2019
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Bierbaum M. Broken-bond fit of high-symmetry surface energies in fcc Ir v004 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_262128211813_004

[2] Bierbaum M. High-symmetry surface energies in cubic lattices and broken bond model v004. OpenKIM; 2019. doi:10.25950/6c43a4e6

[3] 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

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
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Extended KIM ID
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Citable Link https://openkim.org/cite/TE_262128211813_004
KIM Item TypeTest
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KIM API Version2.0
Simulator Name
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Programming Language(s)
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100.00% Python
Previous Version SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ir__TE_262128211813_003

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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 376511

  • No Errors associated with this Test

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