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VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for fcc Ag
Description Computes unrelaxed and relaxed monovancany formation energies and relaxation volume for fcc Ag at zero temperature and zero pressure
Species
The supported atomic species.
Ag
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Junhao Li
Maintainer Daniel S. Karls
Developer Junhao Li
Published on KIM 2023
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Li J. Monovacancy formation energy and relaxation volume for fcc Ag [Internet]. OpenKIM; 2023. Available from: https://openkim.org/cite/TE_637108138696_001

[2] Li J, Fuemmeler E. Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals v001. OpenKIM; 2023. doi:10.25950/fca89cea

[3] 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

[4] 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_637108138696_001
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.
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001
Citable Link https://openkim.org/cite/TE_637108138696_001
KIM Item TypeTest
DriverVacancyFormationEnergyRelaxationVolume__TD_647413317626_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.3.0
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 VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_000


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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)
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EAM_Dynamo_AcklandTichyVitek_1987v2_Ag__MO_055919219575_000 view 188468
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_000 view 266727
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 view 290212
EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 view 333206
EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005 view 354188
EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 view 411244
EAM_Dynamo_WilliamsMishinHamilton_2006_Ag__MO_131620013077_005 view 323930
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 357722
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 309427
EAM_Dynamo_ZhouJohnsonWadley_2004_Ag__MO_947112899505_005 view 459613
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ag__MO_505250810900_000 view 384373
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 371710
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_Standard_JacobsenStoltzeNorskov_1996_Ag__MO_303974873468_001 view 366188
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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 21940823
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_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002 view 555246
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002 view 441355
MEAM_LAMMPS_LeeShimBaskes_2003_Ag__MO_969318541747_001 view 316421
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_004 view 1070589
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004 view 401453
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004 view 658977


  • No Errors associated with this Test




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