{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.505061 0.364949 ] [ 0.25 0.494939 0.635051 ] [ 0.25 0.504902 0.138933 ] [ 0.25 0.994939 0.864949 ] [ 0.75 0.995098 0.638933 ] [ 0.75 0.005061 0.135051 ] [ 0.25 0.004902 0.361067 ] [ 0.75 0.495098 0.861067 ] [ 0.500981 0.731807 0.000047 ] [ 0.499019 0.768193 0.500047 ] [ 0.000981 0.768193 0.500047 ] [ 0.499019 0.268193 0.999953 ] [ 0.000981 0.268193 0.999953 ] [ 0.999019 0.731807 0.000047 ] [ 0.500981 0.231807 0.499953 ] [ 0.999019 0.231807 0.499953 ] [ 0.75 0.993271 0.81756 ] [ 0.25 0.493383 0.814402 ] [ 0.75 0.493271 0.68244 ] [ 0.75 0.006617 0.314402 ] [ 0.25 0.993383 0.685598 ] [ 0.25 0.506729 0.31756 ] [ 0.25 0.006729 0.18244 ] [ 0.75 0.506617 0.185598 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "As" "As" "As" "As" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73710792 "source-unit" "angstrom" } "b" { "source-value" 5.75300361 "source-unit" "angstrom" } "c" { "source-value" 17.37520269 "source-unit" "angstrom" } }