{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.932917 ] [ 0.333333 0.666667 0.067083 ] [ 0.333333 0.666667 0.432917 ] [ 0.666667 0.333333 0.567083 ] [ 0.171535 0.343069 0.75 ] [ 0.171535 0.828465 0.75 ] [ 0.343069 0.171535 0.25 ] [ 0.828465 0.656931 0.25 ] [ 0 0 0 ] [ 0.656931 0.828465 0.75 ] [ 0.828465 0.171535 0.25 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "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" 5.18907033728 "source-unit" "angstrom" } "c" { "source-value" 8.61835938 "source-unit" "angstrom" } }