{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.300328 0.906703 0.5 ] [ 0.699672 0.093297 0.5 ] [ 0.906703 0.699672 0.5 ] [ 0.093297 0.300328 0.5 ] [ 0.800328 0.406703 0 ] [ 0.199672 0.593297 0 ] [ 0.406703 0.199672 0 ] [ 0.593297 0.800328 0 ] ] } "species" { "source-value" [ "Yb" "Yb" "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" 6.69199204585 "source-unit" "angstrom" } "c" { "source-value" 4.33915541863 "source-unit" "angstrom" } }