{ "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" [ [ 0.333333 0.666667 0.664124 ] [ 0 0 0 ] [ 0.666667 0.333333 0.335876 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.176752 ] [ 0.666667 0.333333 0.823248 ] [ 0.827906 0.172094 0.675424 ] [ 0.827906 0.655812 0.675424 ] [ 0.344188 0.172094 0.675424 ] [ 0.655812 0.827906 0.324576 ] [ 0.172094 0.344188 0.324576 ] [ 0.172094 0.827906 0.324576 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Mg" "Ta" "Ta" "O" "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" 5.84342192097 "source-unit" "angstrom" } "c" { "source-value" 7.17866621 "source-unit" "angstrom" } }