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A single sentence description.
Vacancy formation and migration energy for bcc Cr
The supported atomic species.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Junhao Li
Maintainer Daniel S. Karls
Published on KIM 2018
How to Cite

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Jónsson H, Mills G, Jacobsen KW. Nudged elastic band method for finding minimum energy paths of transitions. In: Classical and quantum dynamics in condensed phase simulations. 1998. p. 385–404. doi:10.1142/9789812839664_0016

[2] Li J. Vacancy formation and migration energy for bcc Cr [Internet]. OpenKIM; 2018. Available from: https://openkim.org/cite/TE_308041565541_000

[3] Li J. Vacancy formation and migration energies for cubic and hcp monoatomic crystals [Internet]. OpenKIM; 2018. Available from: https://openkim.org/cite/TD_554849987965_000

[4] 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

[5] 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
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Extended KIM ID
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Citable Link https://openkim.org/cite/TE_308041565541_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 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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Cr__MO_859700307573_001 view 489777
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Cr__MO_483480726117_001 view 193513
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Cr__MO_245813471114_001 view 383941

Model Error Categories Link to Error page
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 mismatch view

Model Error Categories Link to Error page
LennardJones612_UniversalShifted__MO_959249795837_002 other view

Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view



No Driver

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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