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CohesiveEnergyVsLatticeConstant_sc_Pb__TE_414686210875_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for sc Lead
Description This Test computes an energy vs. lattice constant curve for sc Lead. 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_sc_Pb when paired against the Model being used.
Species
The supported atomic species.
Pb
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_414686210875_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_sc_Pb__TE_414686210875_002
Citable Link https://openkim.org/cite/TE_414686210875_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_sc_Pb__TE_414686210875_001
CohesiveEnergyVsLatticeConstant sc Pb TE_414686210875_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_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 2053
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 1943
EAM_Dynamo_ZhouJohnsonWadley_2004_Pb__MO_116920074573_005 view 2199
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pb__MO_988703794028_000 view 2236
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_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 1759
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_002 view 1466
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002 view 1796


Errors

  • No Errors associated with this Test


Download Dependency

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

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