{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.752592 0.752592 0.247408 ] [ 0.752592 0.247408 0.752592 ] [ 0.247408 0.752592 0.752592 ] [ 0.752592 0.752592 0.752592 ] [ 0.752592 0.247408 0.247408 ] [ 0.247408 0.247408 0.752592 ] [ 0.247408 0.752592 0.247408 ] [ 0.247408 0.247408 0.247408 ] [ 0 0 0 ] [ 0 0 0.316857 ] [ 0.731849 0 0.5 ] [ 0.731849 0.5 0 ] [ 0.5 0 0.731849 ] [ 0 0.731849 0.5 ] [ 0.5 0 0.268151 ] [ 0 0.268151 0.5 ] [ 0.5 0.731849 0 ] [ 0.255331 0.5 0.5 ] [ 0.5 0.5 0.744669 ] [ 0.5 0.5 0.255331 ] [ 0.5 0.255331 0.5 ] [ 0.5 0.744669 0.5 ] [ 0.744669 0.5 0.5 ] [ 0.316857 0 0 ] [ 0 0 0.683143 ] [ 0 0.5 0.268151 ] [ 0 0.316857 0 ] [ 0 0.683143 0 ] [ 0.683143 0 0 ] [ 0.268151 0.5 0 ] [ 0.268151 0 0.5 ] [ 0 0.5 0.731849 ] [ 0.5 0.268151 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sb" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" } "short-name" { "source-value" [ "sc" ] } "a" { "source-value" 8.50164741 "source-unit" "angstrom" } }