{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.326259 0.75 0.296632 ] [ 0.673741 0.25 0.703368 ] [ 0.224436 0.75 0.889158 ] [ 0.775564 0.25 0.110842 ] [ 0.082607 0.25 0.346884 ] [ 0.832893 0.75 0.350081 ] [ 0.422572 0.25 0.078974 ] [ 0.167107 0.25 0.649919 ] [ 0.594007 0.25 0.359874 ] [ 0.88192 0.75 0.925019 ] [ 0.577428 0.75 0.921026 ] [ 0.917393 0.75 0.653116 ] [ 0.11808 0.25 0.074981 ] [ 0.405993 0.75 0.640126 ] [ 0.01678 0.75 0.1849 ] [ 0.122751 0.75 0.496443 ] [ 0.426178 0.25 0.816114 ] [ 0.877249 0.25 0.503557 ] [ 0.98322 0.25 0.8151 ] [ 0.371039 0.25 0.487299 ] [ 0.573822 0.75 0.183886 ] [ 0.628961 0.75 0.512701 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.72280737156 "source-unit" "angstrom" } "b" { "source-value" 4.66742314 "source-unit" "angstrom" } "c" { "source-value" 10.6405131294 "source-unit" "angstrom" } "beta" { "source-value" 102.697568951 "source-unit" "degree" } }