[ { "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" 6.549 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -3.6978 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -14.7912 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1254543 0.73525729 0.0070588665 0.087272302 0.87086432 0.559109 0.82820011 0.94593011 0.36156273 ] } "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" 6.549 "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" [ 1.1254543 0.73525729 0.0070588665 0.087272302 0.87086432 0.559109 0.82820011 0.94593011 0.36156273 ] } "library-prototype-label" { "source-value" "A3B_oP16_62_cd_c-001" } "short-name" { "source-value" "epsilon-NiAl3" } } ]