{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.169825 0 ] [ 0 0.003312 0 ] [ 0 0.669825 0 ] [ 0.5 0.503312 0 ] [ 0 0.225717 0.5 ] [ 0.5 0.725717 0.5 ] [ 0.5 0.784529 0 ] [ 0 0.785124 0.5 ] [ 0 0.900693 0.5 ] [ 0.5 0.899824 0 ] [ 0.5 0.045597 0.5 ] [ 0 0.11638 0.5 ] [ 0 0.284529 0 ] [ 0.5 0.285124 0.5 ] [ 0.5 0.400693 0.5 ] [ 0 0.399824 0 ] [ 0 0.545597 0.5 ] [ 0.5 0.61638 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11328696872 "source-unit" "angstrom" } "b" { "source-value" 21.5933200713 "source-unit" "angstrom" } "c" { "source-value" 4.17789388 "source-unit" "angstrom" } }