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LatticeConstantCubicEnergy_diamond_Pd__TE_433456892179_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for diamond Pd v007
Description Equilibrium lattice constant and cohesive energy of diamond 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
Publication Year 2019
How to Cite

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

[1] Equilibrium zero-temperature lattice constant for diamond Pd v007. OpenKIM; 2019.

[2] 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_433456892179_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_diamond_Pd__TE_433456892179_007
Citable Link https://openkim.org/cite/TE_433456892179_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_diamond_Pd__TE_433456892179_006


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_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_000 view 2911
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 view 2815
EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 view 3263
EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005 view 2879
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 3135
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pd__MO_993644691224_000 view 3295
EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000 view 2239
EAM_IMD__MD_113599595631_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)
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 4606
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_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 2975
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001 view 2943
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 6622
MEAM_LAMMPS__MD_249792265679_000
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)
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_000 view 2432
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_000 view 2843
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_000 view 2969
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000 view 2811
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_000 view 3001
MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_000 view 2559
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000 view 2780
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_000 view 2369
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_000 view 2843


Errors

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view




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LatticeConstantCubicEnergy__TD_475411767977_007.zip Zip Windows archive

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