{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.282299 0 0.75 ] [ 0.717701 0 0.25 ] [ 0.782299 0.5 0.25 ] [ 0.217701 0.5 0.75 ] [ 0.801209 0 0.580199 ] [ 0.198791 0 0.080199 ] [ 0.198791 0 0.419801 ] [ 0.801209 0 0.919801 ] [ 0.301209 0.5 0.080199 ] [ 0.698791 0.5 0.580199 ] [ 0.698791 0.5 0.919801 ] [ 0.301209 0.5 0.419801 ] [ 0.5 0.781898 0 ] [ 0.75 0.25 0.75 ] [ 0 0.718102 0 ] [ 0.5 0.218102 0 ] [ 0 0.281898 0 ] [ 0.75 0.75 0.75 ] [ 0 0.281898 0.5 ] [ 0.25 0.75 0.25 ] [ 0.5 0.218102 0.5 ] [ 0 0.718102 0.5 ] [ 0.5 0.781898 0.5 ] [ 0.25 0.25 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.62468560755 "source-unit" "angstrom" } "b" { "source-value" 7.25425871842 "source-unit" "angstrom" } "c" { "source-value" 9.75583700385 "source-unit" "angstrom" } }