{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.590749 ] [ 0.5 0 0.409251 ] [ 0 0.5 0.124338 ] [ 0.5 0 0.875662 ] [ 0 0.5 0.31487 ] [ 0 0.5 0.88098 ] [ 0.5 0 0.68513 ] [ 0.5 0 0.11902 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Bi" "Bi" "S" "S" "S" "S" "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" 4.01554065036 "source-unit" "angstrom" } "c" { "source-value" 13.6146153101 "source-unit" "angstrom" } }