{ "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 0 0.005124 ] [ 0.5 0 0.755124 ] [ 0.5 0.5 0.505124 ] [ 0 0.5 0.255124 ] [ 0.5 0.5 0.754548 ] [ 0 0 0.758141 ] [ 0.5 0 0.004548 ] [ 0 0.5 0.995452 ] [ 0 0 0.254548 ] [ 0.5 0.5 0.258141 ] [ 0 0.5 0.504548 ] [ 0.5 0 0.495452 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Sm" "Sm" "Sm" "Sm" "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" 4.97868334 "source-unit" "angstrom" } "c" { "source-value" 9.95394543 "source-unit" "angstrom" } }