{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.414294 ] [ 0.666667 0.333333 0.914294 ] [ 0.666667 0.333333 0.585706 ] [ 0.333333 0.666667 0.085706 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.174809 0.349618 0.75 ] [ 0.825191 0.174809 0.25 ] [ 0.825191 0.650382 0.25 ] [ 0.174809 0.825191 0.75 ] [ 0.650382 0.825191 0.75 ] [ 0.349618 0.174809 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.45124377 "source-unit" "angstrom" } "c" { "source-value" 7.67106094 "source-unit" "angstrom" } }