{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.200854 ] [ 0.666667 0.333333 0.799146 ] [ 0 0 0.329358 ] [ 0 0 0.670642 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.323261 ] [ 0.511763 0.023526 0.5 ] [ 0.511763 0.488237 0.5 ] [ 0.333333 0.666667 0.676739 ] [ 0.976474 0.488237 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11798921409 "source-unit" "angstrom" } "c" { "source-value" 11.22353607 "source-unit" "angstrom" } }