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CohesiveEnergyVsLatticeConstant_fcc_Co__TE_330933966103_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for fcc Cobalt
Description This Test computes an energy vs. lattice constant curve for fcc Cobalt. 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_fcc_Co when paired against the Model being used.
Species
The supported atomic species.
Co
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_330933966103_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_fcc_Co__TE_330933966103_002
Citable Link https://openkim.org/cite/TE_330933966103_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_fcc_Co__TE_330933966103_001
CohesiveEnergyVsLatticeConstant fcc Co TE_330933966103_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_PunMishin_2012_Co__MO_885079680379_005 view 3592
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 4985
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 7221
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 5205
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 2456
EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 view 2272
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 view 2163
EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 12169
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 15358
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 586


Errors

  • No Errors associated with this Test


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CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

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