{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.147062 ] [ 0.5 0.5 0.852938 ] [ 0 0 0.647062 ] [ 0 0 0.352938 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.836231 ] [ 0 0 0.163769 ] [ 0 0.5 0 ] [ 0.5 0.5 0.336231 ] [ 0.5 0.5 0.663769 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.46259382 "source-unit" "angstrom" } "b" { "source-value" 3.74137293 "source-unit" "angstrom" } "c" { "source-value" 12.59398282 "source-unit" "angstrom" } }