{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.912164 0.607377 0.25 ] [ 0.087836 0.392623 0.75 ] [ 0.607377 0.695213 0.75 ] [ 0.392623 0.304787 0.25 ] [ 0.304787 0.912164 0.75 ] [ 0.695213 0.087836 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.62472442142 "source-unit" "angstrom" } "c" { "source-value" 4.23657793 "source-unit" "angstrom" } }