{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.873827 0.126173 0.626173 ] [ 0.626173 0.126173 0.873827 ] [ 0.873827 0.873827 0.373827 ] [ 0.626173 0.873827 0.126173 ] [ 0.873827 0.626173 0.126173 ] [ 0.626173 0.626173 0.373827 ] [ 0.873827 0.373827 0.873827 ] [ 0.626173 0.373827 0.626173 ] [ 0.373827 0.126173 0.126173 ] [ 0.126173 0.126173 0.373827 ] [ 0.373827 0.873827 0.873827 ] [ 0.126173 0.873827 0.626173 ] [ 0.373827 0.626173 0.626173 ] [ 0.126173 0.626173 0.873827 ] [ 0.373827 0.373827 0.373827 ] [ 0.126173 0.373827 0.126173 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.2239601243 "source-unit" "angstrom" } }