{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.992805 0.800301 ] [ 0.5 0.48775 0.106912 ] [ 0.5 0.48775 0.893088 ] [ 0 0.992805 0.199699 ] [ 0.5 0.492805 0.300301 ] [ 0 0.98775 0.606912 ] [ 0 0.98775 0.393088 ] [ 0.5 0.492805 0.699699 ] [ 0 0.047966 0 ] [ 0.5 0.547966 0.5 ] [ 0.5 0.740367 0.196404 ] [ 0 0.742037 0.083713 ] [ 0 0.742037 0.916287 ] [ 0.5 0.740367 0.803596 ] [ 0 0.250008 0.106002 ] [ 0.5 0.241422 0.202669 ] [ 0.5 0.241422 0.797331 ] [ 0 0.250008 0.893998 ] [ 0.5 0.272882 0 ] [ 0 0.240367 0.696404 ] [ 0.5 0.242037 0.583713 ] [ 0.5 0.242037 0.416287 ] [ 0 0.240367 0.303596 ] [ 0.5 0.750008 0.606002 ] [ 0 0.741422 0.702669 ] [ 0 0.741422 0.297331 ] [ 0.5 0.750008 0.393998 ] [ 0 0.772882 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sm" "Sm" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.82034371 "source-unit" "angstrom" } "b" { "source-value" 5.55377993 "source-unit" "angstrom" } "c" { "source-value" 19.77994946 "source-unit" "angstrom" } }