[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2_hP6_194_c_f" } "stoichiometric-species" { "source-value" [ "Mo" "Se" ] } "a" { "source-value" 2.9035 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9035e-10 } "binding-potential-energy-per-atom" { "source-value" -25.804806025140493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.134385725838251e-18 } "binding-potential-energy-per-formula" { "source-value" -77.41441807542148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.240315717751475e-17 } "parameter-names" { "source-value" [ "c/a" "z2" ] } "parameter-values" { "source-value" [ 3.9476838 0.56964908 ] } "library-prototype-label" { "source-value" "A2B_hP6_194_f_c-002" } "short-name" { "source-value" "metal-carbide; C2Re1, ICSD #184660" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB2_hP6_194_c_f" } "stoichiometric-species" { "source-value" [ "Mo" "Se" ] } "a" { "source-value" 2.9035 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9035e-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" ] } "parameter-values" { "source-value" [ 3.9476838 0.56964908 ] } "library-prototype-label" { "source-value" "A2B_hP6_194_f_c-002" } "short-name" { "source-value" "metal-carbide; C2Re1, ICSD #184660" } } ]