{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.582286 0.5 ] [ 0.582286 0 0.5 ] [ 0.417714 0.417714 0.5 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.756297 0.756297 0 ] [ 0.243703 0 0 ] [ 0 0.243703 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "As" "As" "As" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64120255 "source-unit" "angstrom" } "c" { "source-value" 3.9443836 "source-unit" "angstrom" } }