[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC16_8_2ab_2ab" } "stoichiometric-species" { "source-value" [ "Cu" "Zr" ] } "a" { "source-value" 6.4296 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -5.445 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -10.89 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.2839835 0.86047344 73.7038 0.12959904 0.45200171 0.6562937 0.45622602 0.0036132714 0.0012528882 0.50350774 0.010389116 0.71081887 0.75012486 0.17861355 0.35028925 0.75733369 0.62617009 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_mC16_8_2ab_2ab" } "stoichiometric-species" { "source-value" [ "Cu" "Zr" ] } "a" { "source-value" 6.4296 "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" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.2839835 0.86047344 73.7038 0.12959904 0.45200171 0.6562937 0.45622602 0.0036132714 0.0012528882 0.50350774 0.010389116 0.71081887 0.75012486 0.17861355 0.35028925 0.75733369 0.62617009 ] } } ]