{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.509189 0 0.236562 ] [ 0.490811 0 0.763438 ] [ 0.009189 0.5 0.236562 ] [ 0.990811 0.5 0.763438 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.990685 0 0.743025 ] [ 0.009315 0 0.256975 ] [ 0.758284 0.250002 0.760906 ] [ 0.241716 0.250002 0.239094 ] [ 0.241716 0.749998 0.239094 ] [ 0.758284 0.749998 0.760906 ] [ 0.490685 0.5 0.743025 ] [ 0.509315 0.5 0.256975 ] [ 0.258284 0.750002 0.760906 ] [ 0.741716 0.750002 0.239094 ] [ 0.741716 0.249998 0.239094 ] [ 0.258284 0.249998 0.760906 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pu" "Pu" "Cl" "Cl" "Cl" "Cl" "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" 12.8649322829 "source-unit" "angstrom" } "b" { "source-value" 7.44392011 "source-unit" "angstrom" } "c" { "source-value" 10.4507322876 "source-unit" "angstrom" } "beta" { "source-value" 144.573076755 "source-unit" "degree" } }