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LatticeConstantCubicEnergy_fcc_W__TE_461994964744_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for fcc W v007
Description Equilibrium lattice constant and cohesive energy of fcc W at zero temperature and pressure.
Species
The supported atomic species.
W
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 W v007 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_461994964744_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_461994964744_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_W__TE_461994964744_007
Citable Link https://openkim.org/cite/TE_461994964744_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_W__TE_461994964744_006


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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_Ackland_2003_W__MO_141627196590_005 view 2623
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EAM_Dynamo_BonnyTerentyev_2014EAM2_W__MO_626183701337_000 view 2975
EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_000 view 10958
EAM_Dynamo_HanZepedaAckland_2003_W__MO_286137913440_000 view 2527
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 view 3903
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000 view 4031
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 view 4382
EAM_Dynamo_MasonNguyenManhBecquart_2017_W__MO_268730733493_000 view 11070
EAM_Dynamo_Olsson_2009_W__MO_670013535154_000 view 7305
EAM_Dynamo_SetyawanGaoKurtz_2018_ReW__MO_680820064987_000 view 12781
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 view 70749
EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_005 view 2303
EAM_Dynamo_ZhouWadleyJohnson_2001_W__MO_621445647666_000 view 2111
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_W__MO_914556822329_000 view 2239
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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_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002 view 2079
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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 5278
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_HiremathMelinBitzek_2022_W__MO_943864507178_001 view 10503
MEAM_LAMMPS_LeeBaskesKim_2001_W__MO_227263111062_001 view 10601
MEAM_LAMMPS_Lenosky_2017_W__MO_999198119251_002 view 10749
MEAM_LAMMPS_ParkFellingerLenosky_2012_W__MO_560940542741_002 view 9180
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_002 view 25473
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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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_004 view 3868
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_004 view 2493
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004 view 3389
SNAP__MD_536750310735_000
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)
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000 view 2193
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_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001 view 447674
Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000 view 6814
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_W__SM_163270462402_000 view 6782





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