{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0.360011 0.139989 0.334414 ] [ 0.639989 0.139989 0.165586 ] [ 0.360011 0.860011 0.165586 ] [ 0.639989 0.860011 0.334414 ] [ 0.639989 0.860011 0.665586 ] [ 0.360011 0.139989 0.665586 ] [ 0.139989 0.639989 0.334414 ] [ 0.860011 0.360011 0.334414 ] [ 0.860011 0.639989 0.834414 ] [ 0.139989 0.639989 0.665586 ] [ 0.860011 0.360011 0.665586 ] [ 0.139989 0.360011 0.834414 ] [ 0.139989 0.360011 0.165586 ] [ 0.860011 0.639989 0.165586 ] [ 0.639989 0.139989 0.834414 ] [ 0.360011 0.860011 0.834414 ] [ 0.658742 0.841258 0 ] [ 0.341258 0.841258 0.5 ] [ 0.658742 0.158742 0.5 ] [ 0.341258 0.158742 0 ] [ 0.158742 0.341258 0.5 ] [ 0.841258 0.341258 0 ] [ 0.158742 0.658742 0 ] [ 0.841258 0.658742 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.62537460049 "source-unit" "angstrom" } "c" { "source-value" 7.99498588422 "source-unit" "angstrom" } }