[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_oP16_62_cd_c" } "stoichiometric-species" { "source-value" [ "Al" "Ni" ] } "a" { "source-value" 6.5475 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -3.69783 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -14.79132 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1260023 0.73505918 0.0069209499 0.41270791 0.36993921 0.5595401 0.8282189 0.94590002 0.13714974 ] } "library-prototype-label" { "source-value" "A3B_oP16_62_cd_c-001" } "short-name" { "source-value" "epsilon-NiAl3" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B_oP16_62_cd_c" } "stoichiometric-species" { "source-value" [ "Al" "Ni" ] } "a" { "source-value" 6.5475 "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" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1260023 0.73505918 0.0069209499 0.41270791 0.36993921 0.5595401 0.8282189 0.94590002 0.13714974 ] } "library-prototype-label" { "source-value" "A3B_oP16_62_cd_c-001" } "short-name" { "source-value" "epsilon-NiAl3" } } ]