{ "content-origin" "https://www.ctcms.nist.gov/potentials/entry/2015--Botu-V-Ramprasad-R--Al/" "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "description" "This is an AGNI potential for Aluminum. AGNI potentials are machine learning potentials designed to directly reproduce forces and therefore do not directly compute atomic energies." "developer" [ "88a3fce6-f0f8-4f0d-9959-182fabd1e8c3" "30feeff0-e5cf-46ee-b318-7d9a9543464e" ] "doi" "10.25950/c4a647d9" "domain" "openkim.org" "executables" [] "extended-id" "Sim_LAMMPS_AGNI_BotuRamprasad_2015_Al__SM_526060833691_000" "funding" [ { "award-number" "00014-14-1-0098" "funder-identifier" "https://doi.org/10.13039/100000006" "funder-identifier-type" "Crossref Funder ID" "funder-name" "Office of Naval Research" "scheme-uri" "http://doi.org/" } ] "kim-api-version" "2.2" "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "potential-type" "agni" "publication-year" "2022" "run-compatibility" "portable-models" "simulator-name" "LAMMPS" "simulator-potential" "agni" "source-citations" [ { "author" "Botu, V. and Ramprasad, R." "doi" "10.1103/PhysRevB.92.094306" "issue" "9" "journal" "Phys. Rev. B" "month" "sep" "numpages" "5" "pages" "094306" "publisher" "American Physical Society" "recordkey" "SM_526060833691_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Learning scheme to predict atomic forces and accelerate materials simulations" "url" "https://link.aps.org/doi/10.1103/PhysRevB.92.094306" "volume" "92" "year" "2015" } ] "species" [ "Al" ] "title" "LAMMPS AGNI potential for Al developed by Botu and Ramprasad (2015) v000" }