{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.386055 0 0.30573 ] [ 0.613945 0.613945 0.30573 ] [ 0 0.386055 0.30573 ] [ 0.386055 0.386055 0.69427 ] [ 0 0.613945 0.69427 ] [ 0.613945 0 0.69427 ] ] } "species" { "source-value" [ "Ba" "Sb" "Sb" "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" 5.39110089 "source-unit" "angstrom" } "c" { "source-value" 5.87193406 "source-unit" "angstrom" } }