{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.748273 ] [ 0.5 0 0.251727 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.95799 ] [ 0.5 0.5 0.458046 ] [ 0.5 0 0.790121 ] [ 0.5 0 0.706153 ] [ 0 0.5 0.209879 ] [ 0 0.5 0.293847 ] [ 0.5 0.5 0.04201 ] [ 0.5 0.5 0.541954 ] [ 0.5 0 0.087149 ] [ 0 0 0.662397 ] [ 0 0 0.836298 ] [ 0 0.5 0.086934 ] [ 0.5 0 0.913066 ] [ 0.5 0.5 0.661804 ] [ 0 0.5 0.412786 ] [ 0 0 0.337603 ] [ 0.5 0 0.413118 ] [ 0.5 0.5 0.338196 ] [ 0.5 0.5 0.163022 ] [ 0.5 0 0.587214 ] [ 0.5 0.5 0.836978 ] [ 0 0 0.163702 ] [ 0 0.5 0.586882 ] [ 0 0.5 0.912851 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.32762531124 "source-unit" "angstrom" } "c" { "source-value" 27.6734059609 "source-unit" "angstrom" } }