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Three-body cluster potential by Kaxiras and Pandey (1988) v000
Description A three-body cluster potential which is especially suited to simulate processes in the diamond lattice rather than in high-energy bulk structures of Si. The potential is based on a very large quantum-mechanical data base. It consists of two- and three-body terms with short-range separable forms, and reproduces accurately the energy surface for atomic exchange in Si. Thus, it is ideally suited for molecular dynamics simulations of atomic processes in Si.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Joshua Vievering
Maintainer Joshua Vievering
Implementer Joshua Vievering
Daniel S. Karls
Developer Efthimios Kaxiras
K C Pandey
Published on KIM 2019
How to Cite

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] Kaxiras E, Pandey KC. New classical potential for accurate simulation of atomic processes in Si. Phys Rev B. 1988;38(17):12736–9. doi:10.1103/PhysRevB.38.12736

[2] Vievering J, Karls DS, Kaxiras E, Pandey KC. Three-body cluster potential by Kaxiras and Pandey (1988) v000. OpenKIM; 2019. doi:10.25950/477dbd2b

[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
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Extended KIM ID
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DOI 10.25950/477dbd2b
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
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100.00% C

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Wiki Contributors
2019-05-08T16:26:00.513389 tadmor
2019-05-08T13:47:03.262905 jvievering
2019-05-08T13:39:07.361936 jvievering