{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.875 ] [ 0.25 0.125 0.5 ] [ 0.25 0.875 0 ] [ 0.5 0.25 0.125 ] [ 0.125 0.5 0.25 ] [ 0.875 0 0.25 ] [ 0.5 0.75 0.375 ] [ 0.75 0.625 0 ] [ 0.75 0.375 0.5 ] [ 0 0.75 0.625 ] [ 0.625 0 0.75 ] [ 0.375 0.5 0.75 ] [ 0.914923 0.914923 0.914923 ] [ 0.335077 0.835077 0.664923 ] [ 0.585077 0.914923 0.085077 ] [ 0.164923 0.164923 0.164923 ] [ 0.664923 0.335077 0.835077 ] [ 0.914923 0.085077 0.585077 ] [ 0.085077 0.585077 0.914923 ] [ 0.835077 0.664923 0.335077 ] [ 0.414923 0.414923 0.414923 ] [ 0.835077 0.335077 0.164923 ] [ 0.085077 0.414923 0.585077 ] [ 0.664923 0.664923 0.664923 ] [ 0.164923 0.835077 0.335077 ] [ 0.414923 0.585077 0.085077 ] [ 0.585077 0.085077 0.414923 ] [ 0.335077 0.164923 0.835077 ] [ 0.125 0 0.75 ] [ 0.75 0.125 0 ] [ 0.5 0.75 0.875 ] [ 0.875 0.5 0.75 ] [ 0.75 0.875 0.5 ] [ 0 0.75 0.125 ] [ 0.625 0.5 0.25 ] [ 0.25 0.625 0.5 ] [ 0 0.25 0.375 ] [ 0.375 0 0.25 ] [ 0.25 0.375 0 ] [ 0.5 0.25 0.625 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0829087291 "source-unit" "angstrom" } }