{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.178876 ] [ 0 0 0.821124 ] [ 0.666667 0.333333 0.58586 ] [ 0.333333 0.666667 0.41414 ] [ 0.333333 0.666667 0.003062 ] [ 0.666667 0.333333 0.996938 ] [ 0.333333 0.666667 0.649111 ] [ 0.666667 0.333333 0.350889 ] ] } "species" { "source-value" [ "Ce" "Ce" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.14447466 "source-unit" "angstrom" } "c" { "source-value" 10.91442017 "source-unit" "angstrom" } }