{ "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 0.75 0.703148 ] [ 0.5 0.75 0.953148 ] [ 0.5 0.75 0.796852 ] [ 0 0.75 0.546852 ] [ 0.5 0.25 0.203148 ] [ 0 0.25 0.453148 ] [ 0 0.25 0.296852 ] [ 0.5 0.25 0.046852 ] [ 0 0.25 0.624921 ] [ 0.5 0.25 0.875079 ] [ 0.5 0.75 0.625079 ] [ 0 0.75 0.874921 ] [ 0.5 0.75 0.124921 ] [ 0 0.75 0.375079 ] [ 0 0.25 0.125079 ] [ 0.5 0.25 0.374921 ] [ 0.5 0.25 0.576697 ] [ 0.5 0.25 0.673303 ] [ 0 0.25 0.826697 ] [ 0 0.25 0.923303 ] [ 0.5 0.25 0.514253 ] [ 0 0.25 0.764253 ] [ 0 0.25 0.985747 ] [ 0.5 0.25 0.735747 ] [ 0 0.75 0.076697 ] [ 0 0.75 0.173303 ] [ 0.5 0.75 0.326697 ] [ 0.5 0.75 0.423303 ] [ 0 0.75 0.014253 ] [ 0.5 0.75 0.264253 ] [ 0.5 0.75 0.485747 ] [ 0 0.75 0.235747 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.19044367928 "source-unit" "angstrom" } "c" { "source-value" 37.0702167635 "source-unit" "angstrom" } }