{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.110591 0.5 0.826929 ] [ 0.889409 0.5 0.173071 ] [ 0.610591 0 0.826929 ] [ 0.389409 0 0.173071 ] [ 0.843359 0 0.673414 ] [ 0.156641 0 0.326586 ] [ 0.343359 0.5 0.673414 ] [ 0.656641 0.5 0.326586 ] [ 0.247655 0 0.73548 ] [ 0.752345 0 0.26452 ] [ 0 0 0 ] [ 0.747655 0.5 0.73548 ] [ 0.252345 0.5 0.26452 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.6444790099 "source-unit" "angstrom" } "b" { "source-value" 3.32855125077 "source-unit" "angstrom" } "c" { "source-value" 5.68890420906 "source-unit" "angstrom" } "beta" { "source-value" 111.834887697 "source-unit" "degree" } }