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SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Kr__TE_673426974299_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Kr
Description Computes the formation energy of several high-symmetry surfaces in fcc Kr and uses them to fit a broken-bond model
Species
The supported atomic species.
Kr
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Computer-generated
Contributor mattbierbaum
Maintainer mattbierbaum
Author Matt Bierbaum
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_673426974299_003
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.
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Kr__TE_673426974299_003
Citable Link https://openkim.org/cite/TE_673426974299_003
KIM Item TypeTest
DriverSurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
ase
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 SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Kr__TE_673426974299_002
SurfaceEnergyCubicCrystalBrokenBondFit fcc Kr TE_673426974299_003


Models

LJ_Shifted__MD_498634107543_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 view 48201
LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003 view 13382
LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_003 view 23715
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 78944


Errors

  • No Errors associated with this Test


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