{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.834761 0.165239 0.497899 ] [ 0.330479 0.165239 0.002101 ] [ 0.165239 0.330479 0.502101 ] [ 0.667096 0.662231 0.75 ] [ 0.666667 0.333333 0.894704 ] [ 0.333333 0.666667 0.394704 ] [ 0.669521 0.834761 0.997899 ] [ 0.337769 0.332904 0.75 ] [ 0.004865 0.337769 0.25 ] [ 0.834761 0.165239 0.002101 ] [ 0.662231 0.995135 0.25 ] [ 0.995135 0.662231 0.75 ] [ 0.330479 0.165239 0.497899 ] [ 0.834761 0.669521 0.497899 ] [ 0.165239 0.330479 0.997899 ] [ 0.834761 0.669521 0.002101 ] [ 0.666667 0.333333 0.605296 ] [ 0.669521 0.834761 0.502101 ] [ 0 0.5 0 ] [ 0.332904 0.995135 0.25 ] [ 0.332904 0.337769 0.25 ] [ 0.333333 0.666667 0.105296 ] [ 0.165239 0.834761 0.502101 ] [ 0.004865 0.667096 0.25 ] [ 0.667096 0.004865 0.75 ] [ 0.165239 0.834761 0.997899 ] [ 0.662231 0.667096 0.25 ] [ 0.5 0.5 0 ] [ 0.995135 0.332904 0.75 ] [ 0.337769 0.004865 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 10.31898315 "source-unit" "angstrom" } "c" { "source-value" 10.15651633 "source-unit" "angstrom" } }