{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.970239 0.25 0.34086 ] [ 0.029761 0.75 0.65914 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.596061 0.002763 0.306373 ] [ 0.403939 0.502763 0.693627 ] [ 0.403939 0.997237 0.693627 ] [ 0.596061 0.497237 0.306373 ] [ 0.929719 0.75 0.366654 ] [ 0.070281 0.25 0.633346 ] [ 0.852523 0.75 0.93306 ] [ 0.147477 0.25 0.06694 ] ] } "species" { "source-value" [ "Cu" "Cu" "Au" "Au" "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" 4.45460028495 "source-unit" "angstrom" } "b" { "source-value" 7.53639199 "source-unit" "angstrom" } "c" { "source-value" 8.21256953228 "source-unit" "angstrom" } "beta" { "source-value" 93.4590186032 "source-unit" "degree" } }