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CohesiveEnergyVsLatticeConstant_diamond_Co__TE_163601210424_003

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Co v003
Description This Test computes an energy vs. lattice constant curve for diamond Co. 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_Co when paired against the Model being used.
Species
The supported atomic species.
Co
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 Co 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_163601210424_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_Co__TE_163601210424_003
Citable Link https://openkim.org/cite/TE_163601210424_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_Co__TE_163601210424_002


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_PunMishin_2012_Co__MO_885079680379_005 view 3135
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 4351
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 5470
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 4159
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 2527
EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 view 2623
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 view 2495
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 7357
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 10077
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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_000 view 23660
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_000 view 4644
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_000 view 4802
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_000 view 4359
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000 view 3412
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_000 view 3001
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 7834
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_000 view 3064
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_000 view 4012
MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_000 view 6444
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_000 view 3728
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000 view 3538


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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