{"contributor-id" "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "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." "developer" ["0b33018e-bd5e-4255-be3b-4b7ea23e8347" "ab6d961d-2cfc-42a2-94b7-94343a4d7cf8"] "doi" "10.25950/934dca3e" "domain" "openkim.org" "executables" ["CreateDispatch.sh" "lammps_sw_2_kim_sw.py"] "extended-id" "SW__MD_335816936951_005" "implementer" ["5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"] "kim-api-version" "2.2" "maintainer-id" "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "publication-year" "2021" "simulator-potential-compatibility" [{"compatibility" "partial" "compatibility-notes" "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." "simulator-name" "LAMMPS" "simulator-potential" "sw"}] "source-citations" [{"author" "Stillinger, Frank H. and Weber, Thomas A." "doi" "10.1103/PhysRevB.31.5262" "issue" "8" "journal" "Physical Review B" "month" "Apr" "pages" "5262--5271" "publisher" "American Physical Society" "recordkey" "MD_335816936951_005a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Computer simulation of local order in condensed phases of silicon" "volume" "31" "year" "1985"} {"author" "Tadmor, Ellad B. and Miller, Ronald E." "doi" "10.1017/CBO9781139003582" "publisher" "Cambridge University Press" "recordkey" "MD_335816936951_005b" "recordtype" "book" "title" "Modeling Materials: {C}ontinuum, Atomistic and Multiscale Techniques" "year" "2011"} {"author" "Zhou, X. W. and Ward, D. K. and Martin, J. E. and van Swol, F. B. and Cruz-Campa, J. L. and Zubia, D." "doi" "10.1103/PhysRevB.88.085309" "issue" "8" "journal" "Physical Review {B}" "month" "Aug" "numpages" "14" "pages" "085309" "publisher" "American Physical Society" "recordkey" "MD_335816936951_005c" "recordtype" "article" "title" "Stillinger-Weber potential for the {II-VI} elements {Zn-Cd-Hg-S-Se-Te}" "volume" "88" "year" "2013"}] "title" "Stillinger-Weber (SW) Model Driver v005"}