{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.92047 0.25 ] [ 0 0.07953 0.75 ] [ 0.5 0.42047 0.25 ] [ 0.5 0.57953 0.75 ] [ 0.5 0.136562 0.049883 ] [ 0.5 0.863438 0.549883 ] [ 0.5 0.863438 0.950117 ] [ 0.5 0.136562 0.450117 ] [ 0 0.636562 0.049883 ] [ 0 0.363438 0.549883 ] [ 0 0.363438 0.950117 ] [ 0 0.636562 0.450117 ] [ 0 0.204685 0.25 ] [ 0 0.795315 0.75 ] [ 0.5 0.704685 0.25 ] [ 0.5 0.295315 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.67354162 "source-unit" "angstrom" } "b" { "source-value" 10.63870474 "source-unit" "angstrom" } "c" { "source-value" 7.53781964 "source-unit" "angstrom" } }