{ "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 0.859352 0.25 ] [ 0 0.140648 0.75 ] [ 0.5 0.359352 0.25 ] [ 0.5 0.640648 0.75 ] [ 0.29166 0.904701 0.75 ] [ 0.70834 0.095299 0.25 ] [ 0.70834 0.904701 0.75 ] [ 0.29166 0.095299 0.25 ] [ 0.79166 0.404701 0.75 ] [ 0.20834 0.595299 0.25 ] [ 0.20834 0.404701 0.75 ] [ 0.79166 0.595299 0.25 ] [ 0 0.679772 0.75 ] [ 0 0.320228 0.25 ] [ 0.5 0.179772 0.75 ] [ 0.5 0.820228 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.9562509731 "source-unit" "angstrom" } "b" { "source-value" 10.529480088 "source-unit" "angstrom" } "c" { "source-value" 4.62766666 "source-unit" "angstrom" } }