{ "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 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.860474 ] [ 0.666667 0.333333 0.639526 ] [ 0.333333 0.666667 0.139526 ] [ 0.333333 0.666667 0.360474 ] [ 0.666667 0.333333 0.11753 ] [ 0.666667 0.333333 0.38247 ] [ 0.333333 0.666667 0.88247 ] [ 0.333333 0.666667 0.61753 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Zn" "Zn" "Zn" "Zn" "Ge" "Ge" "Ge" "Ge" ] } "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" 4.28594250253 "source-unit" "angstrom" } "c" { "source-value" 16.57526879 "source-unit" "angstrom" } }