{ "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" [ [ 0.91615 0 0.699478 ] [ 0.08385 0 0.300522 ] [ 0.41615 0.5 0.699478 ] [ 0.58385 0.5 0.300522 ] [ 0.109211 0.5 0.972361 ] [ 0.890789 0.5 0.027639 ] [ 0.609211 0 0.972361 ] [ 0.390789 0 0.027639 ] [ 0.873121 0.5 0.542144 ] [ 0.126879 0.5 0.457856 ] [ 0.829635 0 0.858268 ] [ 0.170365 0 0.141732 ] [ 0.072848 0 0.796902 ] [ 0.927152 0 0.203098 ] [ 0.373121 0 0.542144 ] [ 0.626879 0 0.457856 ] [ 0.329635 0.5 0.858268 ] [ 0.670365 0.5 0.141732 ] [ 0.572848 0.5 0.796902 ] [ 0.427152 0.5 0.203098 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "S" "S" "S" "S" "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" 15.1143540154 "source-unit" "angstrom" } "b" { "source-value" 3.50043711 "source-unit" "angstrom" } "c" { "source-value" 9.3972003456 "source-unit" "angstrom" } "beta" { "source-value" 107.856084795 "source-unit" "degree" } }