{ "property-id" "tag:staff@noreply.openkim.org,2025-08-09:property/energy-and-crystal-structure-vs-hydrostatic-pressure-relation" "instance-id" 1 "disclaimer" "Relaxation failed to reach force tolerance of 1e-05 eV/angstrom at -17.5 GPa, -18.0 GPa, -117.0 GPa, -117.5 GPa" "prototype-label" { "source-value" "AB4_cP5_215_a_e" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "parameter-names" { "source-value" [ "x2" ] } "short-name" { "source-value" [ "Fe$_{4}$C Structure" ] } "library-prototype-label" { "source-value" "AB4_cP5_215_a_e-001" } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_591536740214_000" ] ] } "volume-per-atom" { "source-value" [ 35.62144725849081 26.141282416254448 26.01052623232301 25.994411106435585 25.981613526854723 25.9704948011778 25.960430396334125 25.951104351584043 25.942329205269402 25.93398413212344 25.92598569508637 25.918273446144457 25.910801938608024 25.9035359758457 25.89644762284404 25.889514244178326 25.882717169660914 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