{ "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" [ [ 0.5 0.195165 0.75 ] [ 0.5 0.938927 0.75 ] [ 0.5 0.804835 0.25 ] [ 0.5 0.061073 0.25 ] [ 0 0.695165 0.75 ] [ 0 0.438927 0.75 ] [ 0 0.304835 0.25 ] [ 0 0.561073 0.25 ] [ 0 0.056805 0.75 ] [ 0 0.83203 0.75 ] [ 0 0.943195 0.25 ] [ 0 0.16797 0.25 ] [ 0.5 0.556805 0.75 ] [ 0.5 0.33203 0.75 ] [ 0.5 0.443195 0.25 ] [ 0.5 0.66797 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.4402181907 "source-unit" "angstrom" } "b" { "source-value" 19.835143958 "source-unit" "angstrom" } "c" { "source-value" 4.38077827 "source-unit" "angstrom" } }