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LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_004

Title
A single sentence description.
Equilibrium lattice constants for hcp Al
Description Computes the equilibrium lattice constants for hcp Al at zero temperature and pressure using simplex minimization.
Species
The supported atomic species.
Al
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Computer generated
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_248740869817_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.
LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_004
Citable Link https://openkim.org/cite/TE_248740869817_004
KIM Item TypeTest
DriverLatticeConstantHexagonalEnergy__TD_942334626465_004
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_Al__TE_248740869817_003


Models

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_ApostolMishin_2011_AlCu__SM_667696763561_000 view 32470
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 56943
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 7126
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 9754
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 10428
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 9208
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 view 11647
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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 11216
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 17007
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 15761
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 12242
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 10519
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 18473
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 18730
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 14331
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 15468
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 16494
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 11839
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 17337
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 13452
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 13268
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 14478
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 11252
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 11802
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 14844
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 15614
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 16824
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 view 17410
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 17190
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 16824
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 14588
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 15504
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 16604
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_Al__MO_623376124862_001 view 8319
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 7835
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 481657
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_002 view 47136
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_002 view 17374
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002 view 29652
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)
EAM_ErcolessiAdams_1994_Al__MO_324507536345_002 view 11179





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