{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.45618 0.502014 0.32885 ] [ 0.95618 0.497986 0.17115 ] [ 0.54382 0.002014 0.67115 ] [ 0.04382 0.997986 0.82885 ] [ 0.95618 0.002014 0.17115 ] [ 0.45618 0.997986 0.32885 ] [ 0.04382 0.502014 0.82885 ] [ 0.54382 0.497986 0.67115 ] [ 0.939067 0.75 0.498523 ] [ 0.439067 0.25 0.001477 ] [ 0.060933 0.25 0.501477 ] [ 0.560933 0.75 0.998523 ] [ 0.346755 0.961291 0.07758 ] [ 0.846755 0.038709 0.42242 ] [ 0.653245 0.461291 0.92242 ] [ 0.153245 0.538709 0.57758 ] [ 0.653245 0.038709 0.92242 ] [ 0.153245 0.961291 0.57758 ] [ 0.346755 0.538709 0.07758 ] [ 0.846755 0.461291 0.42242 ] [ 0.37671 0.75 0.830162 ] [ 0.87671 0.25 0.669838 ] [ 0.62329 0.25 0.169838 ] [ 0.12329 0.75 0.330162 ] [ 0.898601 0.75 0.987066 ] [ 0.398601 0.25 0.512934 ] [ 0.101399 0.25 0.012934 ] [ 0.601399 0.75 0.487066 ] [ 0.65925 0.75 0.192371 ] [ 0.15925 0.25 0.307629 ] [ 0.34075 0.25 0.807629 ] [ 0.84075 0.75 0.692371 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pu" "Pu" "Pu" "Pu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.33946874 "source-unit" "angstrom" } "b" { "source-value" 8.90278876 "source-unit" "angstrom" } "c" { "source-value" 13.57398557 "source-unit" "angstrom" } }