{ "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 0.099268 0.75 ] [ 0 0.900732 0.25 ] [ 0.5 0.599268 0.75 ] [ 0.5 0.400732 0.25 ] [ 0.5 0.820807 0.75 ] [ 0.5 0.179193 0.25 ] [ 0 0.320807 0.75 ] [ 0 0.679193 0.25 ] [ 0.5 0.049838 0.25 ] [ 0.5 0.950162 0.75 ] [ 0.5 0.75013 0.25 ] [ 0.5 0.24987 0.75 ] [ 0 0.549838 0.25 ] [ 0 0.450162 0.75 ] [ 0 0.25013 0.25 ] [ 0 0.74987 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99073122854 "source-unit" "angstrom" } "b" { "source-value" 18.3077182928 "source-unit" "angstrom" } "c" { "source-value" 4.03719985 "source-unit" "angstrom" } }