{"content-origin" "https://sites.google.com/site/eampotentials/"
 "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"
 "description" "Highly optimized embedded-atom-method (EAM) potential for Ca. This is part of larger set of 14 face-centered-cubic (fcc) elements across the periodic table. The potentials were developed by fitting the potential-energy surface (PES) of each element derived from high-precision first-principles calculations. The as-derived potential-energy surfaces were shifted and scaled to match experimental reference data. In constructing the PES, a variety of properties of the elements were considered, including lattice dynamics, mechanical properties, thermal behavior, energetics of competing crystal structures, defects, deformation paths, liquid structures, and so forth. For each element, the constructed EAM potentials were tested against the experiment data pertaining to thermal expansion, melting, and liquid dynamics via molecular dynamics computer simulation. The as-developed potentials demonstrate high fidelity and robustness. Owing to their improved accuracy and wide applicability, the potentials are suitable for high-quality atomistic computer simulation of practical applications."
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 "doi" "10.25950/592ce77f"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "EAM_Dynamo_ShengKramerCadien_2011_Ca__MO_382426954533_000"
 "funding" [{"award-number" "DMR-0907325"
             "funder-identifier" "https://doi.org/10.13039/100000001"
             "funder-identifier-type" "Crossref Funder ID"
             "funder-name" "National Science Foundation"
             "scheme-uri" "http://doi.org/"}
            {"award-number" "DE-AC02-07CH1135"
             "funder-identifier" "https://doi.org/10.13039/100000015"
             "funder-identifier-type" "Crossref Funder ID"
             "funder-name" "U.S. Department of Energy"
             "scheme-uri" "http://doi.org/"}
            {"award-number" "N00014-09-1-1025A"
             "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/"}]
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 "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"
 "model-driver" "EAM_Dynamo__MD_120291908751_005"
 "potential-type" "eam"
 "publication-year" "2025"
 "source-citations" [{"author" "Sheng, H. W. and Kramer, M. J. and Cadien, A. and Fujita, T. and Chen, M. W."
                      "journal" "Physical Review B—Condensed Matter and Materials Physics"
                      "number" "13"
                      "pages" "134118"
                      "recordkey" "MO_382426954533_000a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Highly optimized embedded-atom-method potentials for fourteen fcc metals"
                      "volume" "83"
                      "year" "2011"}]
 "species" ["Ca"]
 "title" "EAM potential for Ca developed by Sheng et al. (2011) v000"}