Jump to: Models | Files | Wiki

SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pb__TE_041069419266_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Pb
Description Computes the formation energy of several high-symmetry surfaces in fcc Pb and uses them to fit a broken-bond model
Species
The supported atomic species.
Pb
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_041069419266_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_Pb__TE_041069419266_003
Citable Link https://openkim.org/cite/TE_041069419266_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_Pb__TE_041069419266_002
SurfaceEnergyCubicCrystalBrokenBondFit fcc Pb TE_041069419266_003


Models

EAM_Dynamo__MD_120291908751_005
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)
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 15660
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 15757
EAM_Dynamo_ZhouJohnsonWadley_2004_Pb__MO_116920074573_005 view 18420
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pb__MO_988703794028_000 view 18709
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 108050
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_Pb__MO_370271093517_002 view 44478
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_002 view 21694
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002 view 31674



Wiki

Wiki is ready to accept new content.

Login to edit Wiki content