{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.141038 0.25 ] [ 0 0.858962 0.75 ] [ 0.5 0.641038 0.25 ] [ 0.5 0.358962 0.75 ] [ 0.838937 0.644259 0.979884 ] [ 0.661063 0.144259 0.520116 ] [ 0.338937 0.855741 0.479884 ] [ 0.161063 0.355741 0.020116 ] [ 0.338937 0.144259 0.979884 ] [ 0.161063 0.644259 0.520116 ] [ 0.838937 0.355741 0.479884 ] [ 0.661063 0.855741 0.020116 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.33818273 "source-unit" "angstrom" } "b" { "source-value" 4.83751109 "source-unit" "angstrom" } "c" { "source-value" 9.11994049 "source-unit" "angstrom" } "beta" { "source-value" 117.82473987 "source-unit" "degree" } }