{ "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" [ [ 0.664612 0 0.332218 ] [ 0.335388 0 0.667782 ] [ 0.164612 0.5 0.332218 ] [ 0.835388 0.5 0.667782 ] [ 0.138187 0.731319 0.804732 ] [ 0.861813 0.731319 0.195268 ] [ 0.994875 0 0.785133 ] [ 0.005125 0 0.214867 ] [ 0.138187 0.268681 0.804732 ] [ 0.861813 0.268681 0.195268 ] [ 0.638187 0.231319 0.804732 ] [ 0.361813 0.231319 0.195268 ] [ 0.494875 0.5 0.785133 ] [ 0.505125 0.5 0.214867 ] [ 0.638187 0.768681 0.804732 ] [ 0.361813 0.768681 0.195268 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.74486936 "source-unit" "angstrom" } "b" { "source-value" 7.74860618 "source-unit" "angstrom" } "c" { "source-value" 5.95348905 "source-unit" "angstrom" } "beta" { "source-value" 112.90526453 "source-unit" "degree" } }