{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.805453 0.75 ] [ 0.5 0.194547 0.25 ] [ 0 0.305453 0.75 ] [ 0 0.694547 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.102127 0.75 ] [ 0.5 0.897873 0.25 ] [ 0 0.602127 0.75 ] [ 0 0.397873 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98131686 "source-unit" "angstrom" } "b" { "source-value" 10.07217584 "source-unit" "angstrom" } "c" { "source-value" 5.61193932 "source-unit" "angstrom" } }