{ "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 0.755921 0.25 ] [ 0.5 0.244079 0.75 ] [ 0 0.255921 0.25 ] [ 0 0.744079 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.96023 0.75 ] [ 0.5 0.03977 0.25 ] [ 0 0.46023 0.75 ] [ 0 0.53977 0.25 ] [ 0 0.939939 0.25 ] [ 0 0.060061 0.75 ] [ 0.5 0.883196 0.544792 ] [ 0.5 0.883196 0.955208 ] [ 0.5 0.116804 0.044792 ] [ 0.5 0.116804 0.455208 ] [ 0.5 0.439939 0.25 ] [ 0.5 0.560061 0.75 ] [ 0 0.383196 0.544792 ] [ 0 0.383196 0.955208 ] [ 0 0.616804 0.044792 ] [ 0 0.616804 0.455208 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Dy" "Dy" "Dy" "Dy" "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" 4.30468016 "source-unit" "angstrom" } "b" { "source-value" 16.38478182 "source-unit" "angstrom" } "c" { "source-value" 11.20570529 "source-unit" "angstrom" } }