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LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for fcc Pd v007
Description Equilibrium lattice constant and cohesive energy of fcc Pd at zero temperature and pressure.
Species
The supported atomic species.
Pd
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
This Test was computer-generated
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2019
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Karls DS, Li J. Equilibrium zero-temperature lattice constant for fcc Pd v007 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_672364050449_007

[2] Karls DS, Li J. Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007. OpenKIM; 2019. doi:10.25950/2765e3bf

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_672364050449_007
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.
LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_007
Citable Link https://openkim.org/cite/TE_672364050449_007
KIM Item TypeTest
DriverLatticeConstantCubicEnergy__TD_475411767977_007
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.
ase
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 LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_006


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)
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_000 view 1887
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EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 2079
EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000 view 11368
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 view 43261
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pd__MO_993644691224_000 view 2335
EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000 view 1823
EAM_IMD__MD_113599595631_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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 3615
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 2015
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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 4574
MEAM_LAMMPS__MD_249792265679_002
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_PdC__MO_068985622065_002 view 12492
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002 view 22896
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_002 view 20614
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002 view 12810
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002 view 17823
MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_002 view 17226
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_002 view 13104
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002 view 10205
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002 view 24221
MEAM_LAMMPS_LeeShimBaskes_2003_Pd__MO_307252285625_001 view 12074
No Driver
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)
Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 view 55051


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