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A single sentence description.
Vacancy formation and migration energy for bcc Ba
The supported atomic species.
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Jónsson H, Mills G, Jacobsen KW (1998) Nudged elastic band method for finding minimum energy paths of transitions. Classical and Quantum Dynamics in Condensed Phase Simulations, pp 385–404. doi:10.1142/9789812839664_0016

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
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.
Citable Link https://openkim.org/cite/TE_595751513940_000
KIM Item TypeTest
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.
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


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_Ba__MO_676977998912_001 view 431709
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ba__MO_143487634619_001 view 254094
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ba__MO_229241184339_001 view 311696

Download Dependency

This Test requires a Test Driver. Archives for the Test Driver VacancyFormationMigration__TD_554849987965_000 appear below.

VacancyFormationMigration__TD_554849987965_000.txz Tar+XZ Linux and OS X archive
VacancyFormationMigration__TD_554849987965_000.zip Zip Windows archive


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