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VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for fcc Ag
Description
Species
The supported atomic species.
Ag
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_637108138696_000
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_000
Citable Link https://openkim.org/cite/TE_637108138696_000
KIM Item TypeTest
DriverVacancyFormationEnergyRelaxationVolume__TD_647413317626_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
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
VacancyFormationEnergyRelaxationVolume fcc Ag TE_637108138696_000


Models

EAM_Dynamo__MD_120291908751_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)
EAM_Dynamo_Ackland_Tichy_Ag__MO_212700056563_004 view 216554
EAM_Dynamo_Hale_Wong_pairHybrid_PdAgH__MO_104806802344_004 view 297197
EAM_Dynamo_Hale_Wong_pairMorse_PdAgH__MO_108983864770_004 view 300355
EAM_Dynamo_Williams_Mishin_Ag__MO_131620013077_004 view 283738
EAM_Dynamo_Williams_Mishin_CuAg__MO_128703483589_004 view 306492
EAM_Dynamo_Wu_Trinkle_CuAg__MO_270337113239_004 view 280365
EAM_Dynamo_Zhou_Johnson_Ag__MO_947112899505_004 view 296443
EMT_Asap__MD_128315414717_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)
EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002 view 380308
LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 553767
Pair_Morse_Shifted__MD_552566534109_001
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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Ag__MO_111986436268_001 view 1056705
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ag__MO_137719994600_001 view 479739
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ag__MO_861893969202_001 view 616064


Errors

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view


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