[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B2_hP5_164_ad_d" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 4.0808 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0808e-10 } "binding-potential-energy-per-atom" { "source-value" -3.4892742499452325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.590433672880127e-19 } "binding-potential-energy-per-formula" { "source-value" -17.446371249726162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.795216836440063e-18 } "parameter-names" { "source-value" [ "c/a" "z2" "z3" ] } "parameter-values" { "source-value" [ 1.2741129 0.66360894 0.19517653 ] } "library-prototype-label" { "source-value" "A3B2_hP5_164_ad_d-002" } "short-name" { "source-value" "metal-nitride; Ca3N2, ICSD #162795" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B2_hP5_164_ad_d" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 4.0808 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0808e-10 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "c/a" "z2" "z3" ] } "parameter-values" { "source-value" [ 1.2741129 0.66360894 0.19517653 ] } "library-prototype-label" { "source-value" "A3B2_hP5_164_ad_d-002" } "short-name" { "source-value" "metal-nitride; Ca3N2, ICSD #162795" } } ]