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LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006

Title
A single sentence description.
 Equilibrium zero-temperature lattice constant for diamond Cu
Description Equilibrium lattice constant and cohesive energy of diamond Cu at zero temperature and pressure.
Species
The supported atomic species.
Cu
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 Junhao Li
Maintainer Daniel S. Karls
Published on KIM 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_939141232476_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.
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006
Citable Link https://openkim.org/cite/TE_939141232476_006
KIM Item TypeTest
DriverLatticeConstantCubicEnergy__TD_475411767977_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 LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_005


Models

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_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 1540
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 1187
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 1412
EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 view 1540
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 1668
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 1636
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 1219
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 1059
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 1701
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 1348
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 1380
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 1476
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 1315
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 1797
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 1476
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 1540
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 1187
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 1701
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 1348
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 1219
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 1636
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 1701
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 1283
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 1380
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 1251
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 1219
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 1701
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 1444
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 1508
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 5422
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_003 view 1219
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_003 view 1251
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_003 view 1091
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_NN_Johnson_1988_Cu__MO_887933271505_002 view 1315
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 4845
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 6898
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 9433
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 12192
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 17871
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 4909
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 4877
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 3369
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 4524
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000 view 4428


Errors

EAM_Dynamo__MD_120291908751_005
Model Error Categories Link to Error page
EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 other view
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 other view
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 other view
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 other view
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 other view
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 other view
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 other view
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 other view
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 other view
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 other view
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 other view
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 other view


Files

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

Download

LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006.zip Zip Windows archive

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This Test requires a Test Driver. Archives for the Test Driver LatticeConstantCubicEnergy__TD_475411767977_006 appear below.


LatticeConstantCubicEnergy__TD_475411767977_006.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy__TD_475411767977_006.zip Zip Windows archive

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