{ "contributor-id" "c4d2afd1-647e-4347-ae94-5e4772c16883" "description" "This is a model driver for an optimized interatomic potential based on a modified Tersoff form originally constructed for bulk silicon and 2D silicon (silicene). The silicon potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and energies, surface energies and reconstructions, thermal expansion, melting temperature and other properties." "developer" [ "02eb69dc-bae3-460c-aaf4-1513724c986f" "201572cf-870c-477f-b34f-3a6481002dee" ] "doi" "10.25950/23639742" "domain" "openkim.org" "executables" [ "bondorder.inc" "bondorder_aux.inc" ] "extended-id" "ThreeBodyBondOrder_PPM__MD_184422512875_000" "implementer" [ "c4d2afd1-647e-4347-ae94-5e4772c16883" "4d62befd-21c4-42b8-a472-86132e6591f3" ] "kim-api-version" "2.0" "maintainer-id" "c4d2afd1-647e-4347-ae94-5e4772c16883" "publication-year" "2019" "source-citations" [ { "author" "Pun, G. P. Purja and Mishin, Y." "doi" "10.1103/PhysRevB.95.224103" "issue" "22" "journal" "Phys. Rev. B" "numpages" "21" "pages" "224103" "recordkey" "MD_184422512875_000a" "recordtype" "article" "title" "Optimized interatomic potential for silicon and its application to thermal stability of silicene" "volume" "95" "year" "2017" } ] "title" "Three-body bond-order (Tersoff-style) potential by Purja Pun and Mishin (2017) v000" }