{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.150228 0.390546 0.448999 ] [ 0.349772 0.890546 0.948999 ] [ 0.219854 0.025405 0.25 ] [ 0.150228 0.390546 0.051001 ] [ 0.280146 0.525405 0.75 ] [ 0.849772 0.609454 0.551001 ] [ 0.913208 0.339547 0.75 ] [ 0.086792 0.660453 0.25 ] [ 0.586792 0.839547 0.25 ] [ 0.413208 0.160453 0.75 ] [ 0.719854 0.474595 0.25 ] [ 0.849772 0.609454 0.948999 ] [ 0.780146 0.974595 0.75 ] [ 0.650228 0.109454 0.051001 ] [ 0.349772 0.890546 0.551001 ] [ 0.650228 0.109454 0.448999 ] [ 0.920211 0.231458 0.25 ] [ 0.579789 0.731458 0.75 ] [ 0.432762 0.635784 0.07644 ] [ 0.432762 0.635784 0.42356 ] [ 0.567238 0.364216 0.57644 ] [ 0.932762 0.864216 0.42356 ] [ 0.067238 0.135784 0.57644 ] [ 0.067238 0.135784 0.92356 ] [ 0.932762 0.864216 0.07644 ] [ 0.567238 0.364216 0.92356 ] [ 0.420211 0.268542 0.25 ] [ 0.079789 0.768542 0.75 ] [ 0.554502 0.031964 0.620126 ] [ 0.445498 0.968036 0.120126 ] [ 0.945498 0.531964 0.120126 ] [ 0.054502 0.468036 0.620126 ] [ 0.445498 0.968036 0.379874 ] [ 0.945498 0.531964 0.379874 ] [ 0.054502 0.468036 0.879874 ] [ 0.554502 0.031964 0.879874 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29603536 "source-unit" "angstrom" } "b" { "source-value" 11.44761531 "source-unit" "angstrom" } "c" { "source-value" 11.55383586 "source-unit" "angstrom" } }