{ "creator" "Ronald E. Miller" "content-origin" "NIST IPRP, https://www.ctcms.nist.gov/potentials/Zr.html" "contributor-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" "description" "This Zr EAM potential parameter file is from the NIST repository, \"Zr_3.eam.fs\" as of the March 9, 2009 update. It is similar to \"Zr_mm.eam.fs\" in the LAMMPS distribution dated 2007-06-11, but gives different results for very small interatomic distances (The LAMMPS potential is in fact the deprecated potential referred to in the March 9, 2009 update on the NIST repository). The file header includes a note from the LAMMPS contributor: \"The potential was taken from v3_10_hcp (in C:\\SIMULATION.MD\\Zr\\Results\\v3_10)\"" "doi" "10.25950/acabba2a" "domain" "openkim.org" "extended-id" "EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000" "kim-api-version" "2.0" "maintainer-id" "fa1c5480-8f03-4349-95c1-96c205a7a333" "model-driver" "EAM_Dynamo__MD_120291908751_005" "potential-type" "eam" "publication-year" "2018" "source-citations" [ { "author" "Mendelev, M. I. and Ackland, G. J." "doi" "10.1080/09500830701191393" "issn" "0950-0839" "journal" "{Phil. Mag. Letters}" "number" "5" "orcid-numbers" "{Ackland, Graeme/0000-0002-1205-7675 Mendelev, Mikhail/0000-0002-1841-1073}" "pages" "349-359" "recordkey" "MO_848899341753_000" "recordprimary" "recordprimary" "recordtype" "article" "researcherid-numbers" "{Ackland, Graeme/H-2215-2015 }" "title" "{Development of an interatomic potential for the simulation of phase transformations in zirconium}" "unique-id" "{ISI:000246264400005}" "volume" "87" "year" "2007" } ] "species" [ "Zr" ] "title" "EAM potential (LAMMPS cubic hermite tabulation) for Zr developed by Mendelev and Ackland (2007) v000" }