{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.113434 0.5 0.21972 ] [ 0.886566 0.5 0.78028 ] [ 0.613434 0 0.21972 ] [ 0.386566 0 0.78028 ] ] } "species" { "source-value" [ "Cu" "Cu" "Hg" "Hg" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.87920892 "source-unit" "angstrom" } "b" { "source-value" 2.98580516 "source-unit" "angstrom" } "c" { "source-value" 6.0155409 "source-unit" "angstrom" } "beta" { "source-value" 110.8747554 "source-unit" "degree" } }