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CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_004

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Al v004
Description This Test computes an energy vs. lattice constant curve for bcc Al. The curve is computed for lattice constants ranging from 0.5*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_bcc_Al when paired against the Model being used.
Species
The supported atomic species.
Al
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
Developer Daniel S. Karls
Published on KIM 2022
How to Cite

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

[1] Karls DS. Cohesive energy versus lattice constant curve for bcc Al v004 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_320860761056_004

[2] Karls DS. Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003. OpenKIM; 2019. doi:10.25950/64cb38c5

[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_320860761056_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.
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_004
Citable Link https://openkim.org/cite/TE_320860761056_004
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.2
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_bcc_Al__TE_320860761056_003


EAM_CubicNaturalSpline__MD_853402641673_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)
EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 view 1901
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)
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EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 4814
EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 view 1671
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 view 11927
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 15132
EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 view 2385
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 3317
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 2870
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 2974
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 14452
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 22289
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 11331
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 14183
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 21879
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 8076
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 13855
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 18189
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 22550
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EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 3998
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EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 6405
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 3213
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 view 66406
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Al__MO_060567868558_000 view 3441
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 8126
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 10511
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 19195
EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 49272
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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)
EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 view 2572
EAM_QuinticHermiteSpline__MD_029719603993_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)
EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 view 1671
EMT_Asap__MD_128315414717_004
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)
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 view 2268
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 2208
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 2258
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_ShimKoKim_2013_AlVH__MO_344724145339_001 view 10553
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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 view 11716
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 view 7877
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_002 view 14074
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002 view 8761
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 view 24984
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002 view 6331
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 view 14724
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002 view 6258
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002 view 9906
MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_002 view 9423
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002 view 6405
MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_002 view 6331
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002 view 11264
MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001 view 4564
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_001 view 9497
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001 view 5301
MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002 view 2945
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_002 view 5153
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 view 9896
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002 view 7215
Morse_Shifted__MD_552566534109_004
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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004 view 2327
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004 view 2118
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004 view 2199
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 2870
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 2656
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)
EAM_ErcolessiAdams_1994_Al__MO_324507536345_003 view 2274
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 21941
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 view 8535
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 7479
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 15166
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 2061
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 3166
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 view 103437





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