{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.585056 0 0.25 ] [ 0.585056 0.585056 0.75 ] [ 0 0.414944 0.75 ] [ 0 0.585056 0.25 ] [ 0.414944 0.414944 0.25 ] [ 0.414944 0 0.75 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.238602 0 0.110741 ] [ 0.238602 0.238602 0.610741 ] [ 0 0.761398 0.610741 ] [ 0 0.238602 0.110741 ] [ 0.761398 0.761398 0.110741 ] [ 0.238602 0 0.389259 ] [ 0.761398 0.761398 0.389259 ] [ 0.761398 0 0.610741 ] [ 0 0.238602 0.389259 ] [ 0 0.761398 0.889259 ] [ 0.761398 0 0.889259 ] [ 0.238602 0.238602 0.889259 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Au" "Au" "Au" "Au" "Au" "Au" "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" } "a" { "source-value" 7.20417795208 "source-unit" "angstrom" } "c" { "source-value" 10.41049253 "source-unit" "angstrom" } }