{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.214273 0.75 ] [ 0 0.785727 0.25 ] [ 0.5 0.100964 0.25 ] [ 0.5 0.899036 0.75 ] [ 0.5 0.714273 0.75 ] [ 0.5 0.285727 0.25 ] [ 0 0.600964 0.25 ] [ 0 0.399036 0.75 ] [ 0 0.039858 0.75 ] [ 0 0.960142 0.25 ] [ 0.5 0.539858 0.75 ] [ 0.5 0.460142 0.25 ] [ 0 0.192924 0.25 ] [ 0 0.807076 0.75 ] [ 0.5 0.692924 0.25 ] [ 0.5 0.307076 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Au" "Au" "Au" "Au" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.79201018618 "source-unit" "angstrom" } "b" { "source-value" 19.2123959505 "source-unit" "angstrom" } "c" { "source-value" 5.30453785 "source-unit" "angstrom" } }