[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B6_mC22_12_agh_ij" } "stoichiometric-species" { "source-value" [ "C" "Nb" ] } "a" { "source-value" 5.5135 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -9.42202 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -103.64222 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y2" "y3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.729192 1.1508661 125.2455 0.33331739 0.66460993 0.52630617 0.76291123 0.99509888 0.82426981 0.75330045 ] } "library-prototype-label" { "source-value" "A5B6_mC22_12_agh_ij-001" } "short-name" { "source-value" "metal-carbide; C5Nb6, ICSD #20695" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B6_mC22_12_agh_ij" } "stoichiometric-species" { "source-value" [ "C" "Nb" ] } "a" { "source-value" 5.5135 "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" "beta" "y2" "y3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.729192 1.1508661 125.2455 0.33331739 0.66460993 0.52630617 0.76291123 0.99509888 0.82426981 0.75330045 ] } "library-prototype-label" { "source-value" "A5B6_mC22_12_agh_ij-001" } "short-name" { "source-value" "metal-carbide; C5Nb6, ICSD #20695" } } ]