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CohesiveEnergyVsLatticeConstant_diamond_Ti__TE_804305295553_003

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Ti v003
Description This Test computes an energy vs. lattice constant curve for diamond Ti. 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_Ti when paired against the Model being used.
Species
The supported atomic species.
Ti
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
Published on KIM 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_804305295553_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_Ti__TE_804305295553_003
Citable Link https://openkim.org/cite/TE_804305295553_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_Ti__TE_804305295553_002


EAM_Dynamo__MD_120291908751_005
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)
EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005 view 3295
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 3807
EAM_Dynamo_MendelevUnderwoodAckland_2016pot1_Ti__MO_143373446649_000 view 6475
EAM_Dynamo_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_000 view 6584
EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000 view 6624
EAM_Dynamo_ZhouJohnsonWadley_2004_Ti__MO_723456820410_005 view 2079
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ti__MO_101966451181_000 view 2399
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 3999
LJ__MD_414112407348_003
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 2559
MEAM_LAMMPS__MD_249792265679_001
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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001 view 11741
MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_001 view 2457
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_001 view 21424
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001 view 3620
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001 view 8305
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001 view 9498
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001 view 4724
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 view 7639
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001 view 3312
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_001 view 3133
MEAM_LAMMPS_KimLeeBaskes_2006_Ti__MO_472654156677_000 view 2367
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001 view 2785
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001 view 6942
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 view 13477
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 view 7171
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_001 view 4605
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001 view 5351
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001 view 5868
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_001 view 2675
Tersoff_LAMMPS__MD_077075034781_005
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)
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 2327
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 2288
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 2317
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_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 4670
Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_000 view 1919
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 3935
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 3551
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 5790


MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view

No Driver
Model Error Categories Link to Error page
MSMEAM_Gibson_Ti__MO_309653492217_000 mismatch view




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CohesiveEnergyVsLatticeConstant__TD_554653289799_003.zip Zip Windows archive
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