{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.113672 ] [ 0 0.75 0.886328 ] [ 0.5 0.75 0.613672 ] [ 0.5 0.25 0.386328 ] [ 0.5 0.472299 0.802135 ] [ 0.5 0.972299 0.197865 ] [ 0.5 0.027701 0.802135 ] [ 0.5 0.5 0 ] [ 0.5 0.527701 0.197865 ] [ 0 0.75 0.109199 ] [ 0 0.25 0.890801 ] [ 0.5 0 0 ] [ 0 0.972299 0.302135 ] [ 0 0.472299 0.697865 ] [ 0 0.527701 0.302135 ] [ 0 0 0.5 ] [ 0 0.027701 0.697865 ] [ 0.5 0.25 0.609199 ] [ 0.5 0.75 0.390801 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.35002353671 "source-unit" "angstrom" } "b" { "source-value" 6.24157610281 "source-unit" "angstrom" } "c" { "source-value" 13.8175751953 "source-unit" "angstrom" } }