{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.69453 ] [ 0.666667 0.333333 0.30547 ] [ 0 0 0 ] [ 0.311417 0.155708 0.777261 ] [ 0.844292 0.155708 0.777261 ] [ 0.844292 0.688583 0.777261 ] [ 0.155708 0.311417 0.222739 ] [ 0.688583 0.844292 0.222739 ] [ 0.155708 0.844292 0.222739 ] ] } "species" { "source-value" [ "K" "K" "Ti" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.83003444001 "source-unit" "angstrom" } "c" { "source-value" 4.75529059 "source-unit" "angstrom" } }