{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.857802 ] [ 0.5 0.5 0.142198 ] [ 0 0 0.357802 ] [ 0 0 0.642198 ] [ 0 0 0.196115 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0 0.049181 ] [ 0 0.5 0.049181 ] [ 0.5 0 0.950819 ] [ 0 0.5 0.950819 ] [ 0 0 0.895764 ] [ 0 0 0.104236 ] [ 0 0 0.803885 ] [ 0.5 0.5 0.696115 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.549181 ] [ 0.5 0 0.549181 ] [ 0 0.5 0.450819 ] [ 0.5 0 0.450819 ] [ 0.5 0.5 0.395764 ] [ 0.5 0.5 0.604236 ] [ 0.5 0.5 0.303885 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] ] } "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" "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" 4.34033289 "source-unit" "angstrom" } "c" { "source-value" 26.2166065 "source-unit" "angstrom" } }