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CohesiveEnergyVsLatticeConstant_bcc_Zr__TE_783403151694_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Zirconium
Description This Test computes an energy vs. lattice constant curve for bcc Zirconium. 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_bcc_Zr when paired against the Model being used.
Species
The supported atomic species.
Zr
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_783403151694_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_bcc_Zr__TE_783403151694_002
Citable Link https://openkim.org/cite/TE_783403151694_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_bcc_Zr__TE_783403151694_001


Models

No Driver
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)
Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 view 3722
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_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000 view 2791
EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000 view 2663
EAM_Dynamo_MendelevAckland_2007_Zr__MO_537826574817_000 view 2631
EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000 view 2663
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 view 4011
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 4252
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 4105
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 4235
EAM_Dynamo_ZhouJohnsonWadley_2004_Zr__MO_103270551167_005 view 1906
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Zr__MO_380166217430_000 view 1649
EMT_Asap__MD_128315414717_004
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)
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 1572
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 2086


Errors

  • No Errors associated with this Test




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CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

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