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SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Al
Description Computes the formation energy of several high-symmetry surfaces in fcc Al and uses them to fit a broken-bond model
Species
The supported atomic species.
Al
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_761372278666_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_Al__TE_761372278666_003
Citable Link https://openkim.org/cite/TE_761372278666_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_Al__TE_761372278666_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 101870
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 449383
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 336187
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 256840
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 287482
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 282444
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 view 379245
EAM_CubicNaturalSpline__MD_853402641673_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)
EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 view 21497
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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 20823
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 26695
EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 view 22427
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 31187
EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 view 24930
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 22235
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 30609
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 22684
EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 view 13414
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 26213
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 33657
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 26374
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 27016
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 29518
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 24930
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 23615
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 24128
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 27625
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 27336
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 26278
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 22203
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 25893
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 28459
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 30417
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 27144
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 43732
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 view 27657
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 30192
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 28877
EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 50823
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 35165
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 29358
EAM_QuinticClampedSpline__MD_532469991695_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)
EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 view 24096
EAM_QuinticHermiteSpline__MD_029719603993_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)
EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 view 22812
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_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 view 32791
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 32566
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 982764
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_Al__MO_140175748626_002 view 138511
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_002 view 48160
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002 view 79154
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_ErcolessiAdams_1994_Al__MO_324507536345_002 view 24513





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