Jump to: Models | Files | Wiki

SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Sr__TE_292122900875_003

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc Sr
Description Computes the formation energy of several high-symmetry surfaces in fcc Sr and uses them to fit a broken-bond model
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.
Computer-generated
Contributor Matt Bierbaum
Maintainer Matt Bierbaum
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_292122900875_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_Sr__TE_292122900875_003
Citable Link https://openkim.org/cite/TE_292122900875_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_Sr__TE_292122900875_002


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 56373
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_002 view 175409
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_002 view 56726
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Sr__MO_964297938209_002 view 127666


  • No Errors associated with this Test




Wiki is ready to accept new content.

Login to edit Wiki content