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LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for bcc Ti v007
Description Equilibrium lattice constant and cohesive energy of bcc Ti at zero temperature and pressure.
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.
This Test was computer-generated
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2019
How to Cite

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

[1] Equilibrium zero-temperature lattice constant for bcc Ti v007. OpenKIM; 2019.

[2] Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007. OpenKIM; 2019. doi:10.25950/2765e3bf

[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_679433293274_007
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.
LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_007
Citable Link https://openkim.org/cite/TE_679433293274_007
KIM Item TypeTest
DriverLatticeConstantCubicEnergy__TD_475411767977_007
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 LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_006


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 2495
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 2431
EAM_Dynamo_MendelevUnderwoodAckland_2016pot1_Ti__MO_143373446649_000 view 11080
EAM_Dynamo_MendelevUnderwoodAckland_2016pot3_Ti__MO_819959112190_000 view 11408
EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000 view 5032
EAM_Dynamo_ZhouJohnsonWadley_2004_Ti__MO_723456820410_005 view 2239
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ti__MO_101966451181_000 view 2431
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 2719
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 3167
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 31907
MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_001 view 9598
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_001 view 74595
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001 view 12253
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001 view 22498
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001 view 32543
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001 view 17495
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 view 27332
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001 view 12989
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_001 view 12164
MEAM_LAMMPS_KimLeeBaskes_2006_Ti__MO_472654156677_000 view 10055
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001 view 12582
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001 view 21642
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 view 49820
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 view 27103
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_001 view 17565
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001 view 21026
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001 view 14054
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_001 view 3727
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 7131
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 4547
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 9240
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 7070
Sim_LAMMPS_MEAM_HennigLenoskyTrinkle_2008_Ti__SM_318953488749_000 view 5694
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 7613
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 7102
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 7325
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000 view 5918





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