{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P312" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0 0 0.5 ] [ 0.506238 0.012476 0 ] [ 0.987524 0.493762 0 ] [ 0.506238 0.493762 0 ] [ 0.672896 0.007916 0.216961 ] [ 0.335021 0.007916 0.783039 ] [ 0.992084 0.664979 0.216961 ] [ 0.335021 0.327104 0.216961 ] [ 0.992084 0.327104 0.783039 ] [ 0.672896 0.664979 0.783039 ] [ 0.99922 0.774762 0.339315 ] [ 0.775542 0.00078 0.339315 ] [ 0.225238 0.224458 0.339315 ] [ 0.775542 0.774762 0.660685 ] [ 0.225238 0.00078 0.660685 ] [ 0.99922 0.224458 0.660685 ] ] } "species" { "source-value" [ "K" "Co" "Au" "Au" "Au" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.05334161551 "source-unit" "angstrom" } "c" { "source-value" 7.37102959 "source-unit" "angstrom" } }