{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.309922 0.156205 ] [ 0.5 0.690078 0.843795 ] [ 0.5 0.309922 0.843795 ] [ 0.5 0.690078 0.156205 ] [ 0 0.5 0 ] [ 0 0.809922 0.656205 ] [ 0 0.190078 0.343795 ] [ 0 0.809922 0.343795 ] [ 0 0.190078 0.656205 ] [ 0.5 0 0.257823 ] [ 0.5 0 0.742177 ] [ 0 0.5 0.757823 ] [ 0 0.5 0.242177 ] ] } "species" { "source-value" [ "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "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" 3.98218799344 "source-unit" "angstrom" } "b" { "source-value" 7.02958452514 "source-unit" "angstrom" } "c" { "source-value" 9.49764286411 "source-unit" "angstrom" } }