{ "content-origin" "https://www.ctcms.nist.gov/potentials/entry/2021--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe/" "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "description" "This is an ADP potential for iron created with a focus on description of crystal defects properties. The potential development was based on a force-matching method that requires only ab initio data as reference values. This potential correctly reproduces the largest number of iron characteristics which ensures its advantage and wider applicability range compared to the other considered classical potentials. Note that the parameter files also contains values for non-magnetic iron (nmFe), but its use is not supported by KIM." "developer" [ "8006ef4b-1555-42c2-98d5-baa2111760db" "3028dbe5-3a4d-4545-ab4a-bc0ee9d78713" "53b873ee-3899-4b7d-8540-339980425959" "cdbfa63a-5638-4211-87d5-4ac729cd0dbd" "c970f065-99aa-488d-99b2-9c59181d2c1d" "31a3077a-b153-4bb7-903b-181efdde0713" ] "doi" "10.25950/69dfec96" "domain" "openkim.org" "executables" [] "extended-id" "Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000" "kim-api-version" "2.2" "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "potential-type" "adp" "publication-year" "2022" "run-compatibility" "portable-models" "simulator-name" "LAMMPS" "simulator-potential" "adp" "source-citations" [ { "author" "Starikov, Sergei and Smirnova, Daria and Pradhan, Tapaswani and Lysogorskiy, Yury and Chapman, Harry and Mrovec, Matous and Drautz, Ralf" "doi" "10.1103/PhysRevMaterials.5.063607" "issue" "6" "journal" "Phys. Rev. Materials" "month" "jun" "numpages" "23" "pages" "063607" "publisher" "American Physical Society" "recordkey" "SM_906654900816_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models" "url" "https://link.aps.org/doi/10.1103/PhysRevMaterials.5.063607" "volume" "5" "year" "2021" } ] "species" [ "Fe" ] "title" "LAMMPS ADP potential for Fe developed by Starikov et al. (2021) v000" }