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CohesiveEnergyVsLatticeConstant_fcc_Pt__TE_164136256057_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for fcc Platinum
Description This Test computes an energy vs. lattice constant curve for fcc Platinum. 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_Pt when paired against the Model being used.
Species
The supported atomic species.
Pt
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_164136256057_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_Pt__TE_164136256057_002
Citable Link https://openkim.org/cite/TE_164136256057_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_Pt__TE_164136256057_001
CohesiveEnergyVsLatticeConstant fcc Pt TE_164136256057_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_AdamsFoilesWolfer_1989Universal6_Pt__MO_388062184209_000 view 1796
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 view 1833
EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000 view 3189
EAM_Dynamo_ZhouWadleyJohnson_2001_Pt__MO_102190350384_005 view 2089
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pt__MO_601539325066_000 view 2053
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 843


Errors

  • No Errors associated with this Test


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_002 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_002.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

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