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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
SurfaceEnergyCubicCrystalBrokenBondFit fcc Cu TE_689904280697_003


Models

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 14313
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 13992
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 14505
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EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 20282
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 36199
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 24453
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 17746
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 17907
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 22047
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 21276
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 21565
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 21308
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 30839
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 30519
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EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 23426
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 24518
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 24357
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EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 24325
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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 150475
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 79265
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002 view 31834
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_002 view 50672
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 13414



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