{ "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 0.756993 ] [ 0 0.5 0.243007 ] [ 0.5 0 0.243007 ] [ 0.5 0 0.756993 ] [ 0.675949 0.175949 0.427445 ] [ 0.175949 0.675949 0.572555 ] [ 0 0 0.338568 ] [ 0.749732 0.750268 0.083813 ] [ 0.749732 0.249732 0.916187 ] [ 0.750268 0.250268 0.083813 ] [ 0.249732 0.250268 0.916187 ] [ 0.5 0.5 0.817793 ] [ 0.824051 0.324051 0.572555 ] [ 0.250268 0.750268 0.916187 ] [ 0 0 0.817793 ] [ 0.824051 0.675949 0.427445 ] [ 0.324051 0.824051 0.427445 ] [ 0.5 0.5 0.338568 ] [ 0.5 0.5 0.182207 ] [ 0.249732 0.749732 0.083813 ] [ 0.675949 0.824051 0.572555 ] [ 0.750268 0.749732 0.916187 ] [ 0.324051 0.175949 0.572555 ] [ 0.250268 0.249732 0.083813 ] [ 0.5 0.5 0.661432 ] [ 0.175949 0.324051 0.427445 ] [ 0 0 0.182207 ] [ 0 0 0.661432 ] [ 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" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.04075604 "source-unit" "angstrom" } "c" { "source-value" 15.56461433 "source-unit" "angstrom" } }