{ "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 0.243148 0.75 ] [ 0.5 0.756852 0.25 ] [ 0 0.743148 0.75 ] [ 0 0.256852 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.968813 0.75 ] [ 0.5 0.031187 0.25 ] [ 0 0.468813 0.75 ] [ 0 0.531187 0.25 ] [ 0.5 0.8854 0.559372 ] [ 0.5 0.1146 0.440628 ] [ 0 0.943045 0.25 ] [ 0 0.056955 0.75 ] [ 0.5 0.8854 0.940628 ] [ 0.5 0.1146 0.059372 ] [ 0 0.3854 0.559372 ] [ 0 0.6146 0.440628 ] [ 0.5 0.443045 0.25 ] [ 0.5 0.556955 0.75 ] [ 0 0.3854 0.940628 ] [ 0 0.6146 0.059372 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "U" "U" "Cu" "Cu" "Cu" "Cu" "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" 4.14654443 "source-unit" "angstrom" } "b" { "source-value" 16.16479858 "source-unit" "angstrom" } "c" { "source-value" 10.72699609 "source-unit" "angstrom" } }