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ElasticConstantsCubic_sc_C__TE_994329625827_006

Title
A single sentence description.
Elastic constants for sc C at zero temperature v006
Description Given the zero-pressure, zero-temperature lattice constant of sc C, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
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.
Computer-generated
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2019
How to Cite

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Huntington HB. The Elastic Constants of Crystals. Solid State Physics. 1958;7:213–351. doi:10.1016/S0081-1947(08)60553-6

[2] Li J, Tadmor E. Elastic constants for sc C at zero temperature v006 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_994329625827_006

[3] Li J, Tadmor E. Elastic constants for cubic crystals at zero temperature and pressure v006. OpenKIM; 2019. doi:10.25950/5853fb8f

[4] 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

[5] 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_994329625827_006
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.
ElasticConstantsCubic_sc_C__TE_994329625827_006
Citable Link https://openkim.org/cite/TE_994329625827_006
KIM Item TypeTest
DriverElasticConstantsCubic__TD_011862047401_006
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 ElasticConstantsCubic_sc_C__TE_994329625827_005


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 48775
DUNN_WenTadmor_2019v2_C__MO_956135237832_000 view 47559
DUNN_WenTadmor_2019v3_C__MO_714772088128_000 view 37019
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 5367
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 11637
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000 view 27097
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 69096
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 23117
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 view 48865
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002 view 15828
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_002 view 23779
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 view 18479
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 view 29918
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002 view 70528
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002 view 27411
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002 view 24945
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001 view 32688
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002 view 18332
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 view 13825
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 view 11264
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 5479
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 view 19083
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 view 29410
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 8312
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 12612
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 11199
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004 view 4845
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 12482
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 11229
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 8072
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_LCBOP_LosFasolino_2003_C__SM_469631949122_000 view 6686
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 3103
Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000 view 3519
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view 2495
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000 view 32688
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 view 13202
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 view 12979
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 view 21129
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 view 4731
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 view 7581
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 33608





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