{ "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 0.436053 ] [ 0.666667 0.333333 0.936052 ] [ 0.666667 0.333333 0.563948 ] [ 0.333333 0.666667 0.063947 ] [ 0.170601 0.341201 0.75 ] [ 0.829399 0.170601 0.25 ] [ 0.341201 0.170601 0.25 ] [ 0.658799 0.829399 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829399 0.658799 0.25 ] [ 0.170601 0.829399 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "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" 5.29295310689 "source-unit" "angstrom" } "c" { "source-value" 8.79199888 "source-unit" "angstrom" } }