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SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Ag
Description Computes the formation energy of several high-symmetry surfaces in fcc Ag and uses them to fit a broken-bond model
Species
The supported atomic species.
Ag
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_069649486058_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_Ag__TE_069649486058_003
Citable Link https://openkim.org/cite/TE_069649486058_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_Ag__TE_069649486058_002
SurfaceEnergyCubicCrystalBrokenBondFit fcc Ag TE_069649486058_003


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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)
EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005 view 14794
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EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 view 17907
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EAM_Dynamo_WilliamsMishinHamilton_2006_Ag__MO_131620013077_005 view 17843
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 18196
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EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ag__MO_505250810900_000 view 20955
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 133755
Morse_Shifted__MD_552566534109_002
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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_002 view 53496
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_002 view 25352
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_002 view 42360



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