{ "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" [ [ 0.610774 0 0.5 ] [ 0.389226 0.389226 0.5 ] [ 0 0.610774 0.5 ] [ 0.232069 0 0 ] [ 0.767931 0.767931 0 ] [ 0 0.232069 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Fe" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.65909270081 "source-unit" "angstrom" } "c" { "source-value" 3.90699078 "source-unit" "angstrom" } }