{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.245715 ] [ 0.5 0 0.245715 ] [ 0 0.5 0.754285 ] [ 0.5 0 0.754285 ] [ 0 0 0.340887 ] [ 0.249796 0.250204 0.910834 ] [ 0.323601 0.176399 0.57203 ] [ 0.249796 0.749796 0.089166 ] [ 0.676399 0.823601 0.57203 ] [ 0 0 0.814709 ] [ 0.323601 0.823601 0.42797 ] [ 0 0 0.185291 ] [ 0.5 0.5 0.340887 ] [ 0.250204 0.249796 0.089166 ] [ 0.749796 0.750204 0.089166 ] [ 0 0 0.659113 ] [ 0.823601 0.676399 0.42797 ] [ 0.823601 0.323601 0.57203 ] [ 0.5 0.5 0.185291 ] [ 0.250204 0.750204 0.910834 ] [ 0.5 0.5 0.659113 ] [ 0.750204 0.749796 0.910834 ] [ 0.676399 0.176399 0.42797 ] [ 0.176399 0.323601 0.42797 ] [ 0.5 0.5 0.814709 ] [ 0.749796 0.249796 0.910834 ] [ 0.750204 0.250204 0.089166 ] [ 0.176399 0.676399 0.57203 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.12417856 "source-unit" "angstrom" } "c" { "source-value" 15.66401779 "source-unit" "angstrom" } }