{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.302169 0 ] [ 0 0.697831 0 ] [ 0 0 0.302169 ] [ 0.697831 0 0 ] [ 0 0 0.697831 ] [ 0.302169 0 0 ] [ 0.5 0.802169 0.5 ] [ 0.5 0.197831 0.5 ] [ 0.5 0.5 0.802169 ] [ 0.197831 0.5 0.5 ] [ 0.5 0.5 0.197831 ] [ 0.802169 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0.659201 0.340799 ] [ 0.340799 0 0.659201 ] [ 0.659201 0.340799 0 ] [ 0.159201 0.5 0.159201 ] [ 0.159201 0.159201 0.5 ] [ 0.840799 0.5 0.840799 ] [ 0.840799 0.840799 0.5 ] [ 0.5 0.840799 0.840799 ] [ 0.659201 0 0.340799 ] [ 0.5 0.159201 0.159201 ] [ 0.340799 0.659201 0 ] [ 0 0 0 ] [ 0 0.340799 0.659201 ] [ 0.5 0.159201 0.840799 ] [ 0.840799 0.5 0.159201 ] [ 0.159201 0.840799 0.5 ] [ 0.659201 0 0.659201 ] [ 0.659201 0.659201 0 ] [ 0.340799 0 0.340799 ] [ 0.340799 0.340799 0 ] [ 0 0.340799 0.340799 ] [ 0.159201 0.5 0.840799 ] [ 0 0.659201 0.659201 ] [ 0.840799 0.159201 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.840799 0.159201 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 9.92197997641 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.066014593043478 "source-unit" "eV" } }