{ "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" [ [ 0.368339 0.368339 0.368339 ] [ 0.131661 0.631661 0.868339 ] [ 0.868339 0.131661 0.631661 ] [ 0.631661 0.868339 0.131661 ] [ 0.627026 0.627026 0.627026 ] [ 0.872974 0.372974 0.127026 ] [ 0.127026 0.872974 0.372974 ] [ 0.372974 0.127026 0.872974 ] [ 0.004828 0.004828 0.004828 ] [ 0.495172 0.995172 0.504828 ] [ 0.504828 0.495172 0.995172 ] [ 0.995172 0.504828 0.495172 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "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" 6.75663256 "source-unit" "angstrom" } }