[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2C3_hP12_194_b_f_af" } "stoichiometric-species" { "source-value" [ "Al" "C" "Ti" ] } "a" { "source-value" 2.9821 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9821e-10 } "binding-potential-energy-per-atom" { "source-value" -6.634910793721095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.063029904237433e-18 } "binding-potential-energy-per-formula" { "source-value" -39.80946476232657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.378179425424599e-18 } "parameter-names" { "source-value" [ "c/a" "z3" "z4" ] } "parameter-values" { "source-value" [ 6.2223936 0.56822483 0.13180283 ] } "library-prototype-label" { "source-value" "AB2C3_hP12_194_b_f_af-001" } "short-name" { "source-value" "metal-carbide; Al1C2Ti3, ICSD #93503" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB2C3_hP12_194_b_f_af" } "stoichiometric-species" { "source-value" [ "Al" "C" "Ti" ] } "a" { "source-value" 2.9821 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9821e-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" "z3" "z4" ] } "parameter-values" { "source-value" [ 6.2223936 0.56822483 0.13180283 ] } "library-prototype-label" { "source-value" "AB2C3_hP12_194_b_f_af-001" } "short-name" { "source-value" "metal-carbide; Al1C2Ti3, ICSD #93503" } } ]