{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.784072 ] [ 0 0 0.284072 ] [ 0.666667 0.333333 0.230526 ] [ 0.333333 0.666667 0.730526 ] [ 0.666667 0.333333 0.730526 ] [ 0.333333 0.666667 0.230526 ] [ 0.310872 0.310872 0.08109 ] [ 0 0.310872 0.58109 ] [ 0.310872 0 0.58109 ] [ 0.689128 0 0.08109 ] [ 0 0.689128 0.08109 ] [ 0.689128 0.689128 0.58109 ] [ 0.353618 0.353618 0.419811 ] [ 0 0.353618 0.919811 ] [ 0.353618 0 0.919811 ] [ 0.646382 0 0.419811 ] [ 0 0.646382 0.419811 ] [ 0.646382 0.646382 0.919811 ] [ 0.668018 0.668018 0.250724 ] [ 0 0.668018 0.750724 ] [ 0.668018 0 0.750724 ] [ 0.331982 0 0.250724 ] [ 0 0.331982 0.250724 ] [ 0.331982 0.331982 0.750724 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8108997482 "source-unit" "angstrom" } "c" { "source-value" 11.09068731 "source-unit" "angstrom" } }