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LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007

Title
A single sentence description.
 Equilibrium zero-temperature lattice constant for diamond C v007
Description Equilibrium lattice constant and cohesive energy of diamond C at zero temperature and pressure.
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.
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] Karls DS, Li J. Equilibrium zero-temperature lattice constant for diamond C v007 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_072855742236_007

[2] Karls DS, Li J. 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_072855742236_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_diamond_C__TE_072855742236_007
Citable Link https://openkim.org/cite/TE_072855742236_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_diamond_C__TE_072855742236_006


Models

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_2019v1_C__MO_584345505904_000 view 680784
DUNN_WenTadmor_2019v2_C__MO_956135237832_000 view 730404
DUNN_WenTadmor_2019v3_C__MO_714772088128_000 view 278212
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 3775
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 3690
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 9120
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000 view 20131
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 22200
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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002 view 13693
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 view 35696
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002 view 12353
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_002 view 12472
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 view 9747
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 view 38209
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002 view 39326
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002 view 13325
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002 view 15973
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001 view 10503
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002 view 19289
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 view 9876
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 view 23264
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 9528
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 view 9369
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 view 3504
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 7193
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 7790
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 6895
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004 view 3951
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 4025
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 view 3131
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 4324
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 2623
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 11181
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 27287
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000 view 26711
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 22744
Sim_LAMMPS_EDIP_JiangMorganSzlufarska_2012_SiC__SM_435704953434_000 view 6078
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 view 7517
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 view 6302
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000 view 10876
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 8349
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001 view 29669
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view 6910
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000 view 88418
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 view 41589
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 view 41205
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 view 96369
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000 view 42769
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 view 42037
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 view 44983
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000 view 6494
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000 view 5854
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 9061


Errors

Tersoff_LAMMPS__MD_077075034781_003

No Driver


Files

LICENSE.CDDL
Makefile
kimprovenance.edn
kimspec.edn
pipeline.stdin.tpl
requirements.txt
results.edn.tpl
runner

Download

LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007.zip Zip Windows archive

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This Test requires a Test Driver. Archives for the Test Driver LatticeConstantCubicEnergy__TD_475411767977_007 appear below.


LatticeConstantCubicEnergy__TD_475411767977_007.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy__TD_475411767977_007.zip Zip Windows archive

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