[ { "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" 7.5473 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -3.98152 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -27.87064 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y3" "z3" "x4" "y4" ] } "parameter-values" { "source-value" [ 0.85593524 1.1693983 0.45673726 0.3263879 0.85983598 0.89953788 0.182957 0.78597044 ] } "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" 7.5473 "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" "y1" "x2" "y3" "z3" "x4" "y4" ] } "parameter-values" { "source-value" [ 0.85593524 1.1693983 0.45673726 0.3263879 0.85983598 0.89953788 0.182957 0.78597044 ] } "library-prototype-label" { "source-value" "A6B_oC28_63_efg_c-001" } "short-name" { "source-value" "MnAl6" } } ]