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CohesiveEnergyVsLatticeConstant_bcc_Mg__TE_555138003298_004

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Mg v004
Description This Test computes an energy vs. lattice constant curve for bcc Mg. 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_Mg when paired against the Model being used.
Species
The supported atomic species.
Mg
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] Cohesive energy versus lattice constant curve for bcc Mg v004. OpenKIM; 2022.

[2] 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_555138003298_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_Mg__TE_555138003298_004
Citable Link https://openkim.org/cite/TE_555138003298_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_Mg__TE_555138003298_003


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_LiuAdams_1998_AlMg__MO_019873715786_000 view 2347
EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 view 2039
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 15933
EAM_Dynamo_SunMendelevBecker_2006_Mg__MO_848345414202_005 view 7857
EAM_Dynamo_WilsonMendelev_2016_Mg__MO_574574915905_000 view 8643
EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_005 view 3531
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mg__MO_894868634445_000 view 3382
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_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003 view 25531
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_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 view 2188
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 3849
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_AhmadGrohGhazisaeidi_2018_MgY__MO_135739722270_001 view 7310
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001 view 12731
MEAM_LAMMPS_JangKimLee_2018_ZnMg__MO_474962707676_001 view 5271
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_001 view 7877
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 22995
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_001 view 5510
MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_001 view 6236
MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_001 view 7052
MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_001 view 7828
MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_001 view 10205
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_001 view 5033
MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_001 view 5888
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_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000 view 3481





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