{ "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 0.624451 0.75 ] [ 0 0.375549 0.25 ] [ 0.5 0.124451 0.75 ] [ 0.5 0.875549 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.186284 0.75 ] [ 0 0.813716 0.25 ] [ 0.5 0.686284 0.75 ] [ 0.5 0.313716 0.25 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "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" 6.74298888 "source-unit" "angstrom" } "b" { "source-value" 8.16269947 "source-unit" "angstrom" } "c" { "source-value" 7.09793507 "source-unit" "angstrom" } }