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LatticeConstantHexagonalEnergy_hcp_Co__TE_935255463196_005

Title
A single sentence description.
Equilibrium lattice constants for hcp Co v005
Description Computes the equilibrium lattice constants for hcp Co at zero temperature and pressure using simplex minimization.
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 Junhao Li
Maintainer Junhao Li
Publication Year 2019
How to Cite

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

[1] Equilibrium lattice constants for hcp Co v005. OpenKIM; 2019.

[2] 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.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_935255463196_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_Co__TE_935255463196_005
Citable Link https://openkim.org/cite/TE_935255463196_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_Co__TE_935255463196_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_PunMishin_2012_Co__MO_885079680379_005 view 28493
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 33109
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 33205
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 32823
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 20821
EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 view 26265
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 view 26424
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 87326
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 34383
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 1057719
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 30736
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_000 view 22870
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_000 view 22997
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_000 view 28809
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000 view 24545
MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_000 view 31305
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 25240
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_000 view 25334
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_000 view 31399
MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_000 view 31147
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_000 view 28556
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000 view 21765


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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LatticeConstantHexagonalEnergy__TD_942334626465_005.zip Zip Windows archive

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