[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_oP12_47_al_ejoz" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 7.2897 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.2897e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" "y5" "x6" "y6" ] } "parameter-values" { "source-value" [ 1.1539981 0.34657119 0.66374719 0.67099622 0.76138523 0.1660632 0.75264574 ] } "binding-potential-energy-per-atom" { "source-value" -3.575828612735186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72910905051295e-19 } "binding-potential-energy-per-formula" { "source-value" -14.303314450940745 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.29164362020518e-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" "AB3_oP12_47_al_ejoz" } "stoichiometric-species" { "source-value" [ "Al" "Cu" ] } "a" { "source-value" 7.2897 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.2897e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" "y5" "x6" "y6" ] } "parameter-values" { "source-value" [ 1.1539981 0.34657119 0.66374719 0.67099622 0.76138523 0.1660632 0.75264574 ] } "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" } } ]