{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.705824 ] [ 0.333333 0.666667 0.294176 ] [ 0.883658 0.656171 0.644803 ] [ 0.116342 0.772514 0.355197 ] [ 0.343829 0.227486 0.644803 ] [ 0.666667 0.333333 0.884267 ] [ 0.333333 0.666667 0.115733 ] [ 0.772514 0.116342 0.644803 ] [ 0.656171 0.883658 0.355197 ] [ 0.227486 0.343829 0.355197 ] ] } "species" { "source-value" [ "K" "Al" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.91019392 "source-unit" "angstrom" } "c" { "source-value" 8.18427982 "source-unit" "angstrom" } }