{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.87268 ] [ 0.5 0 0.12732 ] [ 0 0.5 0.37268 ] [ 0 0.5 0.62732 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.58392382854 "source-unit" "angstrom" } "b" { "source-value" 3.69388858518 "source-unit" "angstrom" } "c" { "source-value" 12.6930729835 "source-unit" "angstrom" } }