{ "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" [ [ 0.808058 0.049271 0.199661 ] [ 0.191942 0.549271 0.300339 ] [ 0.191942 0.950729 0.800339 ] [ 0.808058 0.450729 0.699661 ] [ 0.422826 0.337693 0.949916 ] [ 0.577174 0.662307 0.050084 ] [ 0.577174 0.837693 0.550084 ] [ 0.422826 0.162307 0.449916 ] [ 0.080585 0.273783 0.998386 ] [ 0.919415 0.773783 0.501614 ] [ 0.919415 0.726217 0.001614 ] [ 0.080585 0.226217 0.498386 ] [ 0.409429 0.886093 0.22106 ] [ 0.409429 0.613907 0.72106 ] [ 0.590571 0.113907 0.77894 ] [ 0.590571 0.386093 0.27894 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "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" 6.45408389142 "source-unit" "angstrom" } "b" { "source-value" 7.1272218 "source-unit" "angstrom" } "c" { "source-value" 6.83519938394 "source-unit" "angstrom" } "beta" { "source-value" 97.4511766377 "source-unit" "degree" } }