{ "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 0.243147 0.75 ] [ 0.5 0.756853 0.25 ] [ 0 0.743147 0.75 ] [ 0 0.256853 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.959613 0.75 ] [ 0.5 0.040387 0.25 ] [ 0 0.459613 0.75 ] [ 0 0.540387 0.25 ] [ 0.5 0.880941 0.951041 ] [ 0.5 0.119059 0.048959 ] [ 0.5 0.119059 0.451041 ] [ 0.5 0.880941 0.548959 ] [ 0 0.059623 0.75 ] [ 0 0.940377 0.25 ] [ 0 0.380941 0.951041 ] [ 0 0.619059 0.048959 ] [ 0 0.619059 0.451041 ] [ 0 0.380941 0.548959 ] [ 0.5 0.559623 0.75 ] [ 0.5 0.440377 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "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" 4.36275292 "source-unit" "angstrom" } "b" { "source-value" 16.36961652 "source-unit" "angstrom" } "c" { "source-value" 11.38591916 "source-unit" "angstrom" } }