[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC20_12_a2i_c2i" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 12.941 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.2941e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.31854571 0.83179816 149.3487 0.29837061 0.65302219 0.5667196 0.70321537 0.96149174 0.18830255 0.68887273 0.082868944 ] } "binding-potential-energy-per-atom" { "source-value" -3.5481138326717465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684705077478857e-19 } "binding-potential-energy-per-formula" { "source-value" -7.096227665343493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136941015495771e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_mC20_12_a2i_c2i" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 12.941 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.2941e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.31854571 0.83179816 149.3487 0.29837061 0.65302219 0.5667196 0.70321537 0.96149174 0.18830255 0.68887273 0.082868944 ] } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]