[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_oP8_59_ae_b" } "stoichiometric-species" { "source-value" [ "Cu" "Ti" ] } "a" { "source-value" 4.4177 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -2.91614 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -11.66456 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1999683 1.0464721 0.32495712 0.34899121 0.4958112 0.84578482 ] } "library-prototype-label" { "source-value" "A3B_oP8_59_bf_a-001" } "short-name" { "source-value" "betaTiCu3" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B_oP8_59_ae_b" } "stoichiometric-species" { "source-value" [ "Cu" "Ti" ] } "a" { "source-value" 4.4177 "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" "z1" "z2" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1999683 1.0464721 0.32495712 0.34899121 0.4958112 0.84578482 ] } "library-prototype-label" { "source-value" "A3B_oP8_59_bf_a-001" } "short-name" { "source-value" "betaTiCu3" } } ]