{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.831754 0.663507 0.75 ] [ 0.831754 0.168246 0.75 ] [ 0.336493 0.168246 0.75 ] [ 0.663507 0.831754 0.25 ] [ 0.168246 0.831754 0.25 ] [ 0.168246 0.336493 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Au" "Au" "Au" "Au" "Au" "Au" ] } "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" 5.85863797 "source-unit" "angstrom" } "c" { "source-value" 4.81589076 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 112.2518850109499 "source-unit" "GPa" "source-std-uncert-value" 0.003704677569473347 } }