{ "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" [ [ 0.666667 0.333333 0.409306 ] [ 0.333333 0.666667 0.590694 ] [ 0 0 0.210432 ] [ 0 0 0.789568 ] [ 0.666667 0.333333 0.844018 ] [ 0.333333 0.666667 0.155982 ] [ 0.167942 0.832058 0.289734 ] [ 0.832058 0.167942 0.710266 ] [ 0.335884 0.167942 0.710266 ] [ 0.167942 0.335884 0.289734 ] [ 0 0 0 ] [ 0.664116 0.832058 0.289734 ] [ 0.832058 0.664116 0.710266 ] ] } "species" { "source-value" [ "K" "K" "Al" "Al" "Sb" "Sb" "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" 5.71611783382 "source-unit" "angstrom" } "c" { "source-value" 8.23475184 "source-unit" "angstrom" } }