{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.363348 0.25 ] [ 0 0.636652 0.75 ] [ 0.5 0.863348 0.25 ] [ 0.5 0.136652 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.796173 0.25 ] [ 0 0.203827 0.75 ] [ 0.5 0.296173 0.25 ] [ 0.5 0.703827 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Au" "Au" "Au" "Au" "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" 6.60245116 "source-unit" "angstrom" } "b" { "source-value" 8.14982692 "source-unit" "angstrom" } "c" { "source-value" 7.25035012 "source-unit" "angstrom" } }