{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.839367 0.5 ] [ 0.5 0.160633 0.5 ] [ 0.5 0 0 ] [ 0 0.339367 0.5 ] [ 0 0.660633 0.5 ] [ 0 0.5 0 ] [ 0 0.10817 0.803277 ] [ 0 0.89183 0.196723 ] [ 0 0.89183 0.803277 ] [ 0 0.10817 0.196723 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.5 0.60817 0.803277 ] [ 0.5 0.39183 0.196723 ] [ 0.5 0.39183 0.803277 ] [ 0.5 0.60817 0.196723 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69287394 "source-unit" "angstrom" } "b" { "source-value" 13.71585152 "source-unit" "angstrom" } "c" { "source-value" 7.4015727 "source-unit" "angstrom" } }