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VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for hcp Zr
Description
Species
The supported atomic species.
Zr
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 hcp Zr. 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_109617109098_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_hcp_Zr__TE_109617109098_000
Citable Link https://openkim.org/cite/TE_109617109098_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


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