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CohesiveEnergyVsLatticeConstant_sc_Pt__TE_157772593014_003

Title
A single sentence description.
Cohesive energy versus lattice constant curve for sc Pt v003
Description This Test computes an energy vs. lattice constant curve for sc Pt. 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_Pt when paired against the Model being used.
Species
The supported atomic species.
Pt
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 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_157772593014_003
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_Pt__TE_157772593014_003
Citable Link https://openkim.org/cite/TE_157772593014_003
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_003
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_Pt__TE_157772593014_002


EAM_Dynamo__MD_120291908751_005
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
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EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 view 1983
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EAM_Dynamo_ZhouWadleyJohnson_2001_Pt__MO_102190350384_005 view 2751
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pt__MO_601539325066_000 view 2527
EAM_QuinticClampedSpline__MD_532469991695_003
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000 view 4738
EMT_Asap__MD_128315414717_004
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 2367
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pt__MO_637493005914_001 view 2239
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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 2431
MEAM_LAMMPS__MD_249792265679_001
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_001 view 3740
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001 view 5490
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001 view 5261
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_001 view 4913
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001 view 3063
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001 view 5063
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 view 4108
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001 view 3163
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_001 view 7300
MEAM_LAMMPS_LeeShimBaskes_2003_Pt__MO_534993486058_000 view 2833
Tersoff_LAMMPS__MD_077075034781_005
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004 view 1939


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