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LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005

Title
A single sentence description.
Equilibrium lattice constants for hcp Cu v005
Description Computes the equilibrium lattice constants for hcp Cu at zero temperature and pressure using simplex minimization.
Species
The supported atomic species.
Cu
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor karls
Maintainer karls
Author Daniel S. Karls and Junhao Li
Publication Year 2019
Item Citation

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

[1] Karls DS, Li J. Equilibrium lattice constants for hcp Cu v005. OpenKIM; 2019.

[2] Karls DS, Li J. Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v005. OpenKIM; 2019. doi:10.25950/c339ca32

[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.
Short KIM ID
The unique KIM identifier code.
TE_344176839725_005
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.
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005
Citable Link https://openkim.org/cite/TE_344176839725_005
KIM Item TypeTest
DriverLatticeConstantHexagonalEnergy__TD_942334626465_005
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 LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_004


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_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 18051
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 19770
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 18592
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 19802
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 30467
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 48263
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 40400
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 19324
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 19388
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 25119
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 23750
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 35306
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 36675
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 50046
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 53389
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 27825
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 38331
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 28589
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 27665
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 23240
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 26265
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 54981
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 30722
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 23399
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 30149
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 461781
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_003 view 88218
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_003 view 40814
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_003 view 58260
No Driver
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_NN_Johnson_1988_Cu__MO_887933271505_002 view 21171
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 153768
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 228837
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 11144797
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 3724398
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 3773266
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 46353
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 44348
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 38649





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