{ "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 0 0.316225 ] [ 0 0 0.683775 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.816225 ] [ 0.5 0.5 0.183775 ] [ 0 0.5 0 ] [ 0.5 0.714487 0 ] [ 0.5 0.285513 0 ] [ 0.5 0.867966 0.834924 ] [ 0.5 0.132034 0.165076 ] [ 0.5 0.867966 0.165076 ] [ 0.5 0.132034 0.834924 ] [ 0 0.273788 0.137989 ] [ 0 0.726212 0.862011 ] [ 0 0.273788 0.862011 ] [ 0 0.726212 0.137989 ] [ 0.5 0 0.5 ] [ 0 0.214487 0.5 ] [ 0 0.785513 0.5 ] [ 0 0.367966 0.334924 ] [ 0 0.632034 0.665076 ] [ 0 0.367966 0.665076 ] [ 0 0.632034 0.334924 ] [ 0.5 0.773788 0.637989 ] [ 0.5 0.226212 0.362011 ] [ 0.5 0.773788 0.362011 ] [ 0.5 0.226212 0.637989 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "Al" "Al" "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" 4.44621601695 "source-unit" "angstrom" } "b" { "source-value" 10.1224214831 "source-unit" "angstrom" } "c" { "source-value" 13.153904297 "source-unit" "angstrom" } }