A single sentence description.
|Stillinger-Weber (SW) Model Driver v005|
|Description||This is a model driver for the generalized Stillinger-Weber (SW) potential, which includes both two-body and three-body terms. It was originally developed to describe interactions in solid and liquid forms of silicon. The key idea underlying the functional form is a geometric constraint introduced through the three-body term that preferences the ground state crystal structure. The generalized SW form includes support for multiple species. This driver is compatible with the SW potential implemented in LAMMPS, however the parameter format is different (see the README file for details). In timing tests, this driver is comparable to or somewhat faster than the implementation in LAMMPS.|
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Frank H. Stillinger|
Thomas A. Weber
|Published on KIM||2021|
|How to Cite||
This Model Driver originally published in [1-3] is archived in OpenKIM [4-6].
 Stillinger FH, Weber TA. Computer simulation of local order in condensed phases of silicon. Physical Review B. 1985Apr;31(8):5262–71. doi:10.1103/PhysRevB.31.5262 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.
 Tadmor EB, Miller RE. Modeling Materials: Continuum, Atomistic and Multiscale Techniques. Cambridge University Press; 2011. doi:10.1017/CBO9781139003582
 Zhou XW, Ward DK, Martin JE, Swol FB van, Cruz-Campa JL, Zubia D. Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te. Physical Review B. 2013Aug;88(8):085309. doi:10.1103/PhysRevB.88.085309
 Wen M, Afshar Y, Stillinger FH, Weber TA. Stillinger-Weber (SW) Model Driver v005. OpenKIM; 2021. doi:10.25950/934dca3e
 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
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
|Short KIM ID
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|Extended KIM ID
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|KIM Item Type||Model Driver|
|KIM API Version||2.2|
|Simulator Potential Compatibility||
LAMMPS : sw — partial
This driver is consistent with 'pair_style sw' in the LAMMPS package, but the parameter file has a different format and the driver is less general than the LAMMPS implementation. Specifically, in the KIM parameter file, only independent pairwise parameters are read in and the three-body parameters are generated through geometric averaging. In addition, the costheta_0 parameter is assumed to be the same for all three-body interactions and the tolerance parameter introduced in LAMMPS for efficiency is not supported. See the README file for details. A Python utility "lammps_sw_2_kim_sw.py" is provided to translate LAMMPS 'pair_style sw' parameter files to the KIM model driver format.