{ "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 0.388216 ] [ 0 0 0 ] [ 0 0 0.611784 ] [ 0.333333 0.666667 0.246088 ] [ 0.666667 0.333333 0.140915 ] [ 0.333333 0.666667 0.859085 ] [ 0.666667 0.333333 0.753912 ] [ 0.333333 0.666667 0.104731 ] [ 0.666667 0.333333 0.502596 ] [ 0.333333 0.666667 0.497404 ] [ 0.333333 0.666667 0.718259 ] [ 0.666667 0.333333 0.895269 ] [ 0.666667 0.333333 0.281741 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Al" "Al" "Al" "Al" "Si" "Si" "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" 4.2049488898 "source-unit" "angstrom" } "c" { "source-value" 18.07465609 "source-unit" "angstrom" } }