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LinearThermalExpansionCoeffCubic__TD_522633393614_001

Title
A single sentence description.
Linear thermal expansion coefficient of cubic crystal structures v001
Description This Test Driver uses LAMMPS to compute the linear thermal expansion coefficient at a finite temperature under a given pressure for a cubic lattice (fcc, bcc, sc, diamond) of a single given species.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Mwen
Maintainer Mwen
Creator Mingjian Wen
Publication Year 2019
Item Citation

This Test Driver is archived in OpenKIM [1-3].

[1] Linear thermal expansion coefficient of cubic crystal structures v001. OpenKIM; 2019. doi:10.25950/fc69d82d

[2] 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

[3] 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.
TD_522633393614_001
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.
LinearThermalExpansionCoeffCubic__TD_522633393614_001
DOI 10.25950/fc69d82d
https://doi.org/10.25950/fc69d82d
https://search.datacite.org/works/10.25950/fc69d82d
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
LAMMPS
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 LinearThermalExpansionCoeffCubic__TD_522633393614_000

Tests using this Test Driver

LinearThermalExpansionCoeffCubic_bcc_Ba__TE_132553522497_001
LinearThermalExpansionCoeffCubic_bcc_Cr__TE_435511432078_001
LinearThermalExpansionCoeffCubic_bcc_Cs__TE_124842053505_001
LinearThermalExpansionCoeffCubic_bcc_Eu__TE_883193159339_001
LinearThermalExpansionCoeffCubic_bcc_Fe__TE_506786620750_001
LinearThermalExpansionCoeffCubic_bcc_K__TE_293947541816_001
LinearThermalExpansionCoeffCubic_bcc_Li__TE_940119952339_001
LinearThermalExpansionCoeffCubic_bcc_Mo__TE_653330286461_001
LinearThermalExpansionCoeffCubic_bcc_Na__TE_398765858860_001
LinearThermalExpansionCoeffCubic_bcc_Rb__TE_027845558943_001
LinearThermalExpansionCoeffCubic_bcc_Ta__TE_537849920850_001
LinearThermalExpansionCoeffCubic_bcc_V__TE_417640301289_001
LinearThermalExpansionCoeffCubic_bcc_W__TE_489123578653_001
LinearThermalExpansionCoeffCubic_diamond_C__TE_640411322333_001
LinearThermalExpansionCoeffCubic_diamond_Ge__TE_778011010022_001
LinearThermalExpansionCoeffCubic_diamond_Si__TE_782453122212_001
LinearThermalExpansionCoeffCubic_diamond_Sn__TE_836750009088_001
LinearThermalExpansionCoeffCubic_fcc_Ac__TE_611064980563_001
LinearThermalExpansionCoeffCubic_fcc_Ag__TE_016048498506_001
LinearThermalExpansionCoeffCubic_fcc_Al__TE_957040092249_001
LinearThermalExpansionCoeffCubic_fcc_Ar__TE_732820333279_001
LinearThermalExpansionCoeffCubic_fcc_Au__TE_173429922932_001
LinearThermalExpansionCoeffCubic_fcc_Ca__TE_389870929270_001
LinearThermalExpansionCoeffCubic_fcc_Ce__TE_716914137201_001
LinearThermalExpansionCoeffCubic_fcc_Cu__TE_335019190158_001
LinearThermalExpansionCoeffCubic_fcc_Ir__TE_657654753530_001
LinearThermalExpansionCoeffCubic_fcc_Kr__TE_080995775402_001
LinearThermalExpansionCoeffCubic_fcc_Ne__TE_243550005184_001
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001
LinearThermalExpansionCoeffCubic_fcc_Pb__TE_051450577568_001
LinearThermalExpansionCoeffCubic_fcc_Pd__TE_728704926608_001
LinearThermalExpansionCoeffCubic_fcc_Pt__TE_325427650920_001
LinearThermalExpansionCoeffCubic_fcc_Rh__TE_500354655277_001
LinearThermalExpansionCoeffCubic_fcc_Sr__TE_380277273371_001
LinearThermalExpansionCoeffCubic_fcc_Th__TE_780283590779_001
LinearThermalExpansionCoeffCubic_fcc_Xe__TE_246024074275_001
LinearThermalExpansionCoeffCubic_fcc_Yb__TE_033069610010_001
LinearThermalExpansionCoeffCubic_sc_Po__TE_573533540838_001


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