{ "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" [ [ 0.333333 0.666667 0.447012 ] [ 0.666667 0.333333 0.947012 ] [ 0.666667 0.333333 0.552988 ] [ 0.333333 0.666667 0.052988 ] [ 0.157034 0.314068 0.75 ] [ 0.842966 0.157034 0.25 ] [ 0.314068 0.157034 0.25 ] [ 0.685932 0.842966 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.842966 0.685932 0.25 ] [ 0.157034 0.842966 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "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" 5.93674094945 "source-unit" "angstrom" } "c" { "source-value" 9.07090679 "source-unit" "angstrom" } }