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ElasticConstantsCubic_fcc_Co__TE_927061832654_006

Title
A single sentence description.
Elastic constants for fcc Co at zero temperature v006
Description Given the zero-pressure, zero-temperature lattice constant of fcc Co, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
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.
Computer-generated
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2019
How to Cite

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Huntington HB. The Elastic Constants of Crystals. Solid State Physics. 1958;7:213–351. doi:10.1016/S0081-1947(08)60553-6

[2] Li J, Tadmor E. Elastic constants for fcc Co at zero temperature v006 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_927061832654_006

[3] Tadmor EB, Li J. Elastic constants for cubic crystals at zero temperature and pressure v006. OpenKIM; 2019. doi:10.25950/5853fb8f

[4] 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

[5] 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_927061832654_006
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.
ElasticConstantsCubic_fcc_Co__TE_927061832654_006
Citable Link https://openkim.org/cite/TE_927061832654_006
KIM Item TypeTest
DriverElasticConstantsCubic__TD_011862047401_006
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 ElasticConstantsCubic_fcc_Co__TE_927061832654_005


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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)
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EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 1887
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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)
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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 14651
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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 view 118971
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MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_002 view 37105
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_002 view 43573
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002 view 25767
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_002 view 31951
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 view 55731
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002 view 33826
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_002 view 21129
MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_002 view 39019
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_002 view 16417
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 view 36589
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_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001 view 72737
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000 view 338542


  • No Errors associated with this Test




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