Jump to: Models | Files | Wiki

VacancyFormationEnergyRelaxationVolume_fcc_Sr__TE_859992451273_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for fcc Sr
Description
Species
The supported atomic species.
Sr
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor jl2922
Maintainer karls
Creator Junhao Li
Publication Year 2018
Item Citation

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

[1] Monovacancy formation energy and relaxation volume for fcc Sr. OpenKIM; 2018.

[2] Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals. OpenKIM; 2018.

[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_859992451273_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_Sr__TE_859992451273_000
Citable Link https://openkim.org/cite/TE_859992451273_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


Models

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 453493
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_Sr__MO_497591319122_001 view 1954025
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Sr__MO_801083489225_001 view 750566
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Sr__MO_964297938209_001 view 1669878





Wiki

Wiki is ready to accept new content.

Login to edit Wiki content