{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.5 0.5 0.757229 ] [ 0 0.5 0.757229 ] [ 0.5 0 0.757229 ] [ 0 0.5 0.242771 ] [ 0.5 0.5 0.242771 ] [ 0.5 0 0.242771 ] ] } "species" { "source-value" [ "Na" "Na" "B" "B" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61461184681 "source-unit" "angstrom" } "c" { "source-value" 5.5738035 "source-unit" "angstrom" } }