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CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for sc Nickel
Description This Test computes an energy vs. lattice constant curve for sc Nickel. 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_Ni when paired
against the Model being used.
Species
The supported atomic species.
Ni
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_883842739285_001
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_Ni__TE_883842739285_001
Citable Link https://openkim.org/cite/TE_883842739285_001
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
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_Ni__TE_883842739285_000


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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_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001 view 1507
EAM_Dynamo__MD_120291908751_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)
EAM_Angelo_Moody_Baskes_modified_by_Tehranchi_Curtin_Song_Ni_H__MO_535504325462_002 view 933
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EAM_Dynamo_Mendelev_NiZr__MO_149104665840_004 view 4881
EAM_Dynamo_Mishin_Farkas_Ni__MO_400591584784_004 view 3266
EAM_Dynamo_Mishin_Mehl_NiAl__MO_109933561507_004 view 5455
EAM_Dynamo_Mishin_NiAl__MO_101214310689_004 view 4558
EAM_Dynamo_Onat_Durukanoglu_CuNi__MO_592013496703_004 view 3804
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EMT_Asap__MD_128315414717_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)
EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002 view 4289
IMD_EAM__MD_113599595631_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)
IMD_EAM_Schopf_AlNiCo_A__MO_122703700223_002 view 18553
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LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 933
Pair_Morse_Shifted__MD_552566534109_001
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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Ni__MO_381861218831_001 view 27861
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ni__MO_322509103239_001 view 4153
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ni__MO_758825945924_001 view 4051


  • No Errors associated with this Test




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