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CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Cu v004
Description This Test computes an energy vs. lattice constant curve for diamond Cu. The curve is computed for lattice constants ranging from 0.5*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_diamond_Cu when paired against the Model being used.
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.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Developer Daniel S. Karls
Published on KIM 2022
How to Cite

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

[1] Cohesive energy versus lattice constant curve for diamond Cu v004. OpenKIM; 2022.

[2] Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003. OpenKIM; 2019. doi:10.25950/64cb38c5

[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_596332570306_004
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_diamond_Cu__TE_596332570306_004
Citable Link https://openkim.org/cite/TE_596332570306_004
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.2
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_diamond_Cu__TE_596332570306_003


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_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 7997
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 7847
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 7957
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 2128
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 10324
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 13924
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 4506
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 10095
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 view 21320
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 19419
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 4622
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 4324
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 view 6709
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 2506
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 2596
EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 view 8146
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 7987
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 21580
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 21208
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 14611
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 8743
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 12134
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 25121
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 8945
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 3183
EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 view 4655
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000 view 4100
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 7305
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000 view 4356
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 8613
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_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 view 2572
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 3317
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 4324
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 3653
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 4008
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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 view 4655
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_001 view 3541
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 view 6262
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 22886
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001 view 3839
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001 view 4138
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_000 view 6821
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001 view 3173
MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_000 view 4808
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 view 11480
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_001 view 2536
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_001 view 7753
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_001 view 7007
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001 view 5898
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001 view 8088
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004 view 3019
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 2833
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 2347
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_LiHuChen_2018_Cu__MO_529419924683_000 view 3764
SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000 view 6299
SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 view 3988
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)
EAM_Mendelev_2019_CuZr__MO_945018740343_000 view 2162
EAM_NN_Johnson_1988_Cu__MO_887933271505_002 view 2199
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 25382
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 22995





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