{ "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 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.136808 0 0.723986 ] [ 0.863192 0 0.276014 ] [ 0.636808 0.5 0.723986 ] [ 0.363192 0.5 0.276014 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "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" 9.50145845695 "source-unit" "angstrom" } "b" { "source-value" 3.74824439 "source-unit" "angstrom" } "c" { "source-value" 6.44855267379 "source-unit" "angstrom" } "beta" { "source-value" 103.965272026 "source-unit" "degree" } }