[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_oP16_62_c_cd" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 5.3664 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -5.84061 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -23.36244 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2922443 0.93984794 0.35738638 0.54444402 0.046892097 0.3121214 0.81680202 0.93061887 0.16103236 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-004" } "short-name" { "source-value" "metal-carbide; C1Cr3, ICSD #617486" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3_oP16_62_c_cd" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 5.3664 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2922443 0.93984794 0.35738638 0.54444402 0.046892097 0.3121214 0.81680202 0.93061887 0.16103236 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-004" } "short-name" { "source-value" "metal-carbide; C1Cr3, ICSD #617486" } } ]