{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.07133 0.07133 0.07133 ] [ 0.82133 0.17867 0.67867 ] [ 0.67867 0.82133 0.17867 ] [ 0.17867 0.67867 0.82133 ] [ 0.92867 0.57133 0.42867 ] [ 0.42867 0.92867 0.57133 ] [ 0.57133 0.42867 0.92867 ] [ 0.82133 0.82133 0.82133 ] [ 0.57133 0.57133 0.57133 ] [ 0.32133 0.67867 0.17867 ] [ 0.17867 0.32133 0.67867 ] [ 0.67867 0.17867 0.32133 ] [ 0.42867 0.07133 0.92867 ] [ 0.92867 0.42867 0.07133 ] [ 0.07133 0.92867 0.42867 ] [ 0.32133 0.32133 0.32133 ] [ 0.875 0.5 0.75 ] [ 0.75 0.875 0.5 ] [ 0.75 0.125 0 ] [ 0 0.75 0.125 ] [ 0.5 0.75 0.875 ] [ 0.125 0 0.75 ] [ 0.375 0 0.25 ] [ 0.25 0.375 0 ] [ 0.25 0.625 0.5 ] [ 0.5 0.25 0.625 ] [ 0 0.25 0.375 ] [ 0.625 0.5 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 9.70312711354 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.221039143571429 "source-unit" "eV" } }