{ "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 ] [ 0 0 0.5 ] [ 0.5 0.5 0.334705 ] [ 0 0 0.165295 ] [ 0 0 0.834705 ] [ 0.5 0.5 0.665295 ] [ 0 0.752859 0.335083 ] [ 0 0.745618 0 ] [ 0 0.247141 0.335083 ] [ 0.5 0.747141 0.164917 ] [ 0 0.254382 0 ] [ 0.5 0.252859 0.164917 ] [ 0.5 0.252859 0.835083 ] [ 0.5 0.245618 0.5 ] [ 0.5 0.747141 0.835083 ] [ 0 0.247141 0.664917 ] [ 0.5 0.754382 0.5 ] [ 0 0.752859 0.664917 ] ] } "species" { "source-value" [ "Ce" "Ce" "Th" "Th" "Th" "Th" "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" 3.94038945 "source-unit" "angstrom" } "b" { "source-value" 5.56682344 "source-unit" "angstrom" } "c" { "source-value" 11.80511235 "source-unit" "angstrom" } }