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CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Gold
Description This Test computes an energy vs. lattice constant curve for diamond Gold. The curve is computed for lattice constants ranging from 0.8*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_diamond_Au when paired against the Model being used.
Species
The supported atomic species.
Au
Contributor karls
Maintainer karls
Author Daniel S. Karls
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_464393613038_002
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.
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_002
Citable Link https://openkim.org/cite/TE_464393613038_002
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_002
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.
LAMMPS
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 CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_001
CohesiveEnergyVsLatticeConstant diamond Au TE_464393613038_002


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_Ackland_1987_Au__MO_754413982908_000 view 3152
EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005 view 2896
EAM_Dynamo_AdamsFoilesWolfer_1989_Au__MO_087738844640_000 view 1539
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_000 view 1539
EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_000 view 2859
EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000 view 2639
EAM_Dynamo_Olsson_2010_Au__MO_228280943430_000 view 2786
EAM_Dynamo_Pun_2017_Au__MO_188701096956_000 view 2786
EAM_Dynamo_Zhakhovsky_2009_Au__MO_173248269481_000 view 2236
EAM_Dynamo_ZhouJohnsonWadley_2004_Au__MO_468407568810_005 view 1686
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 2309
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Au__MO_684444719999_000 view 1979
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 1833
Morse_EIP__MD_429561112321_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_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002 view 1429


Errors

  • No Errors associated with this Test


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CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

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