Jump to: Models | Files | Wiki

CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_004

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond C v004
Description This Test computes an energy vs. lattice constant curve for diamond C. 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_diamond_C when paired against the Model being used.
Species
The supported atomic species.
C
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 diamond C 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_609752483801_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_diamond_C__TE_609752483801_004
Citable Link https://openkim.org/cite/TE_609752483801_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_diamond_C__TE_609752483801_003


DUNN__MD_292677547454_000
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)
DUNN_WenTadmor_2019v3_C__MO_714772088128_000 view 884856
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_HepburnAckland_2008_FeC__MO_143977152728_005 view 49547
EDIP_LAMMPS__MD_783584031339_000
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)
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000 view 2825
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 2904
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000 view 25263
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 1178
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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 view 6405
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001 view 18251
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_001 view 3551
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_001 view 3690
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 view 4491
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001 view 13473
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001 view 15516
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001 view 4270
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001 view 9792
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_000 view 3313
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_001 view 3239
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 view 3073
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_AlbeNordlundAverback_2002_PtC__MO_500121566391_004 view 3203
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 view 3018
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 2914
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 view 2606
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 4049
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 3680
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 3610
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004 view 2650
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 3018
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 view 2964
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 2825
ThreeBodyBondOrder_KDS__MD_697985444380_000
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)
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000 view 2337
hNN__MD_435082866799_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)
hNN_WenTadmor_2019Grx_C__MO_421038499185_001 view 18111
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_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000 view 24348
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000 view 22518
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000 view 9203





This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_003 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_003.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_003.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content