{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.502161 ] [ 0 0 0.747839 ] [ 0 0.5 0.997839 ] [ 0.5 0.5 0.752161 ] [ 0.5 0 0.002161 ] [ 0.5 0.5 0.247839 ] [ 0.5 0 0.497839 ] [ 0 0 0.252161 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Pr" "Pr" "Pr" "Pr" "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" 5.04815618 "source-unit" "angstrom" } "c" { "source-value" 10.08170082 "source-unit" "angstrom" } }