{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.189946 0 0.75 ] [ 0.75 0.810054 0.5 ] [ 0.5 0.75 0.810054 ] [ 0.75 0.189946 0 ] [ 0 0.75 0.189946 ] [ 0.810054 0.5 0.75 ] [ 0.689946 0.5 0.25 ] [ 0.25 0.310054 0 ] [ 0 0.25 0.310054 ] [ 0.25 0.689946 0.5 ] [ 0.5 0.25 0.689946 ] [ 0.310054 0 0.25 ] [ 0.770287 0.229713 0.729713 ] [ 0.229713 0.729713 0.770287 ] [ 0.770287 0.770287 0.770287 ] [ 0.229713 0.270287 0.729713 ] [ 0.270287 0.729713 0.229713 ] [ 0.729713 0.229713 0.270287 ] [ 0.270287 0.270287 0.270287 ] [ 0.729713 0.770287 0.229713 ] [ 0.507013 0.492987 0.992987 ] [ 0.492987 0.992987 0.507013 ] [ 0.992987 0.507013 0.492987 ] [ 0.007013 0.007013 0.007013 ] [ 0.007013 0.992987 0.492987 ] [ 0.992987 0.492987 0.007013 ] [ 0.492987 0.007013 0.992987 ] [ 0.507013 0.507013 0.507013 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.37339681365 "source-unit" "angstrom" } }