[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A6B_oC28_63_efg_c" } "stoichiometric-species" { "source-value" [ "Al" "Mn" ] } "a" { "source-value" 7.5837 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.5837e-10 } "binding-potential-energy-per-atom" { "source-value" -4.624557754422027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.409358376718482e-19 } "binding-potential-energy-per-formula" { "source-value" -32.37190428095419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.186550863702937e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y3" "z3" "x4" "y4" ] } "parameter-values" { "source-value" [ 0.87794876 1.1284861 0.46363099 0.32253294 0.15232768 0.094288607 0.81748648 0.78876963 ] } "library-prototype-label" { "source-value" "A6B_oC28_63_efg_c-001" } "short-name" { "source-value" "MnAl6" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A6B_oC28_63_efg_c" } "stoichiometric-species" { "source-value" [ "Al" "Mn" ] } "a" { "source-value" 7.5837 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.5837e-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" [ "b/a" "c/a" "y1" "x2" "y3" "z3" "x4" "y4" ] } "parameter-values" { "source-value" [ 0.87794876 1.1284861 0.46363099 0.32253294 0.15232768 0.094288607 0.81748648 0.78876963 ] } "library-prototype-label" { "source-value" "A6B_oC28_63_efg_c-001" } "short-name" { "source-value" "MnAl6" } } ]