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SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Cu
Description Computes the formation energy of several high-symmetry surfaces in fcc Cu and uses them to fit a broken-bond model
Species
The supported atomic species.
Cu
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Computer-generated
Contributor mattbierbaum
Maintainer mattbierbaum
Author Matt Bierbaum
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_689904280697_003
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.
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003
Citable Link https://openkim.org/cite/TE_689904280697_003
KIM Item TypeTest
DriverSurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003
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 SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_002


Models

No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_ApostolMishin_2011_AlCu__SM_667696763561_000 view 153591
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 162703
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 732821
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 683731
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 713378
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 107485
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 137484
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 226584
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 321395
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000 view 121570
EAM_Dynamo__MD_120291908751_005
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 20214
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 19347
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 18898
EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 view 23807
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 26919
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 47550
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 33240
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 23807
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 24673
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 30449
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 28491
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 30352
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 28652
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 41390
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 40555
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 26887
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 28909
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 29518
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 33304
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 33433
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 37700
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 53646
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 39657
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 33176
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 35550
EMT_Asap__MD_128315414717_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 51015
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 50341
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 42192
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 34588
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 606695
Morse_Shifted__MD_552566534109_002
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_002 view 108832
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002 view 43764
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_002 view 69913
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 19379





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