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CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Ni v003
Description This Test computes an energy vs. lattice constant curve for diamond Ni. The curve is computed for lattice constants ranging from 0.8*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_Ni when paired against the Model being used.
Species
The supported atomic species.
Ni
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
Publication Year 2019
How to Cite

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

[1] Cohesive energy versus lattice constant curve for diamond Ni v003. OpenKIM; 2019.

[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_406251948779_003
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_Ni__TE_406251948779_003
Citable Link https://openkim.org/cite/TE_406251948779_003
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
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_Ni__TE_406251948779_002


Models

EAM_CubicNaturalSpline__MD_853402641673_002
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_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_003 view 1838
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_Ni__MO_977363131043_005 view 3231
EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000 view 3007
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 view 2047
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 2079
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 view 3583
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 3647
EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 view 2975
EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 view 2015
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 view 2303
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 view 14217
EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 view 3231
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 view 4351
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 4191
EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005 view 3167
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 4287
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 3871
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 4159
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 5470
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 4414
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 2175
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 4095
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 4510
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 2175
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 2303
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_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 10236
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 10364
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 2271
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001 view 2111
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 2751
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_AsadiZaeemNouranian_2015_Ni__MO_700541006254_000 view 1643
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_000 view 23407
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000 view 4833
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000 view 3254
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000 view 2053
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000 view 2717
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 view 3885
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 7834
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 view 5812
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000 view 3222
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000 view 4549
MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_000 view 3096
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 3222
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000 view 12067
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000 view 7613
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_000 view 5749
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000 view 1801
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000 view 5370
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000 view 11246
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000 view 6033
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004 view 863
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004 view 863
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 1215
SNAP__MD_536750310735_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)
SNAP_LiHuChen_2018_Ni__MO_913991514986_000 view 376
SNAP_LiHuChen_2018_NiMo__MO_468686727341_000 view 439
SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000 view 1065
SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000 view 846
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)
Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000 view 2495
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000 view 2431
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000 view 1983
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 3295
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 5790
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000 view 2239


Errors

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view




Download Dependency

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CohesiveEnergyVsLatticeConstant__TD_554653289799_003.zip Zip Windows archive

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