{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.019612 0.746346 0.380396 ] [ 0.019612 0.753654 0.880396 ] [ 0.980388 0.246346 0.119604 ] [ 0.980388 0.253654 0.619604 ] [ 0.589023 0.750704 0.521961 ] [ 0.410977 0.250704 0.978039 ] [ 0.410977 0.249296 0.478039 ] [ 0.589023 0.749296 0.021961 ] [ 0.44377 0.499836 0.735268 ] [ 0.55623 0.500164 0.264732 ] [ 0.44377 0.000164 0.235268 ] [ 0.55623 0.999836 0.764732 ] [ 0.762216 0.551827 0.53637 ] [ 0.237784 0.051827 0.96363 ] [ 0.237784 0.448173 0.46363 ] [ 0.762216 0.948173 0.03637 ] [ 0.764626 0.948806 0.595796 ] [ 0.235374 0.448806 0.904204 ] [ 0.235374 0.051194 0.404204 ] [ 0.37285 0.774254 0.218596 ] [ 0.37285 0.725746 0.718596 ] [ 0.62715 0.225746 0.781404 ] [ 0.62715 0.274254 0.281404 ] [ 0.764626 0.551194 0.095796 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Hg" "Hg" "Hg" "Hg" "Sb" "Sb" "Sb" "Sb" "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" 8.06733879254 "source-unit" "angstrom" } "b" { "source-value" 11.52586868 "source-unit" "angstrom" } "c" { "source-value" 9.10858702078 "source-unit" "angstrom" } "beta" { "source-value" 106.182862346 "source-unit" "degree" } }