{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.946098 0.633718 0.578272 ] [ 0.366282 0.31238 0.578272 ] [ 0.68762 0.053902 0.578272 ] [ 0.31238 0.366282 0.921728 ] [ 0.053902 0.68762 0.921728 ] [ 0.633718 0.946098 0.921728 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.184329 ] [ 0.666667 0.333333 0.315671 ] [ 0.666667 0.333333 0.815671 ] [ 0.333333 0.666667 0.684329 ] [ 0.366282 0.053902 0.078272 ] [ 0.946098 0.31238 0.078272 ] [ 0.68762 0.633718 0.078272 ] [ 0.31238 0.946098 0.421728 ] [ 0.633718 0.68762 0.421728 ] [ 0.053902 0.366282 0.421728 ] [ 0.66021 0.66021 0.75 ] [ 0 0.33979 0.75 ] [ 0.33979 0 0.75 ] [ 0.33979 0.33979 0.25 ] [ 0 0.66021 0.25 ] [ 0.66021 0 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "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" } "a" { "source-value" 8.12385295068 "source-unit" "angstrom" } "c" { "source-value" 8.58982898 "source-unit" "angstrom" } }