{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.333333 ] [ 0 0.5 0.666667 ] [ 0.5 0 0 ] [ 0 0.5 0.166667 ] [ 0.5 0.5 0.833333 ] [ 0.5 0 0.5 ] [ 0.30357 0.151785 0.666667 ] [ 0.151785 0.848215 0.333333 ] [ 0.848215 0.69643 0 ] [ 0.848215 0.151785 0.333333 ] [ 0.151785 0.30357 0 ] [ 0.69643 0.848215 0.666667 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "B" "B" "B" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.48452896123 "source-unit" "angstrom" } "c" { "source-value" 7.96061142 "source-unit" "angstrom" } }