{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.757334 0.25 ] [ 0.5 0.242666 0.75 ] [ 0 0.257334 0.25 ] [ 0 0.742666 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.039021 0.25 ] [ 0.5 0.960979 0.75 ] [ 0 0.539021 0.25 ] [ 0 0.460979 0.75 ] [ 0 0.940111 0.25 ] [ 0.5 0.120193 0.447805 ] [ 0.5 0.879807 0.947805 ] [ 0.5 0.879807 0.552195 ] [ 0.5 0.120193 0.052195 ] [ 0 0.059889 0.75 ] [ 0.5 0.440111 0.25 ] [ 0 0.620193 0.447805 ] [ 0 0.379807 0.947805 ] [ 0 0.379807 0.552195 ] [ 0 0.620193 0.052195 ] [ 0.5 0.559889 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ce" "Ce" "Ce" "Ce" "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "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" 4.44393248 "source-unit" "angstrom" } "b" { "source-value" 16.2069032 "source-unit" "angstrom" } "c" { "source-value" 11.52878945 "source-unit" "angstrom" } }