{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_3" } "basis-atom-coordinates" { "source-value" [ [ 0.645849 0.356848 0.748212 ] [ 0.354151 0.643152 0.248212 ] [ 0.356848 0.354151 0.998212 ] [ 0.643152 0.645849 0.498212 ] [ 0.145972 0.154015 0.593928 ] [ 0.854028 0.845985 0.093928 ] [ 0.845985 0.145972 0.343928 ] [ 0.154015 0.854028 0.843928 ] [ 0.160534 0.850951 0.710845 ] [ 0.354333 0.151873 0.388626 ] [ 0.839466 0.149049 0.210845 ] [ 0.149049 0.160534 0.460845 ] [ 0.850951 0.839466 0.960845 ] [ 0.151873 0.645667 0.638626 ] [ 0.645667 0.848127 0.888626 ] [ 0.848127 0.354333 0.138626 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Rh" "Rh" "Rh" "Rh" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.88068864892 "source-unit" "angstrom" } "c" { "source-value" 15.428700295 "source-unit" "angstrom" } }