{ "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 0.064941 0.75 ] [ 0 0.935059 0.25 ] [ 0.5 0.564941 0.75 ] [ 0.5 0.435059 0.25 ] [ 0.5 0.855995 0.945188 ] [ 0.5 0.855995 0.554812 ] [ 0.5 0.144005 0.054812 ] [ 0.5 0.144005 0.445188 ] [ 0 0.355995 0.945188 ] [ 0 0.355995 0.554812 ] [ 0 0.644005 0.054812 ] [ 0 0.644005 0.445188 ] [ 0 0.779503 0.75 ] [ 0 0.220497 0.25 ] [ 0.5 0.279503 0.75 ] [ 0.5 0.720497 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99980413 "source-unit" "angstrom" } "b" { "source-value" 9.29416454 "source-unit" "angstrom" } "c" { "source-value" 7.13124889 "source-unit" "angstrom" } }