{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.090827 0.686098 0.75 ] [ 0.909173 0.313902 0.25 ] [ 0.404729 0.090827 0.25 ] [ 0.313902 0.404729 0.75 ] [ 0.686098 0.595271 0.25 ] [ 0.595271 0.909173 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.81142 0.752443 0.75 ] [ 0.752443 0.941023 0.25 ] [ 0.18858 0.247557 0.25 ] [ 0.247557 0.058977 0.75 ] [ 0.941023 0.18858 0.75 ] [ 0.058977 0.81142 0.25 ] [ 0.483097 0.634758 0.006861 ] [ 0.516903 0.365242 0.993139 ] [ 0.848338 0.483097 0.506861 ] [ 0.483097 0.634758 0.493139 ] [ 0.634758 0.151662 0.993139 ] [ 0.634758 0.151662 0.506861 ] [ 0.151662 0.516903 0.493139 ] [ 0.365242 0.848338 0.006861 ] [ 0.848338 0.483097 0.993139 ] [ 0.516903 0.365242 0.506861 ] [ 0.151662 0.516903 0.006861 ] [ 0.365242 0.848338 0.493139 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.51488697832 "source-unit" "angstrom" } "c" { "source-value" 5.61087453 "source-unit" "angstrom" } }