{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.612264 0.699344 0.75 ] [ 0.91292 0.612264 0.25 ] [ 0.387736 0.300656 0.25 ] [ 0.08708 0.387736 0.75 ] [ 0.300656 0.91292 0.75 ] [ 0.699344 0.08708 0.25 ] ] } "species" { "source-value" [ "Pr" "Pr" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.07021020801 "source-unit" "angstrom" } "c" { "source-value" 4.45335339 "source-unit" "angstrom" } }