{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.843565 0.656435 0.343565 ] [ 0.656435 0.343565 0.843565 ] [ 0.343565 0.843565 0.656435 ] [ 0.156435 0.156435 0.156435 ] [ 0.152547 0.347453 0.652547 ] [ 0.347453 0.652547 0.152547 ] [ 0.652547 0.152547 0.347453 ] [ 0.847453 0.847453 0.847453 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32332245 "source-unit" "angstrom" } }