{ "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" [ [ 0.847059 0 0.713034 ] [ 0.869179 0.5 0.951942 ] [ 0.130821 0.5 0.048058 ] [ 0.152941 0 0.286966 ] [ 0.347059 0.5 0.713034 ] [ 0.369179 0 0.951942 ] [ 0.630821 0 0.048058 ] [ 0.652941 0.5 0.286966 ] [ 0.682861 0 0.730582 ] [ 0.317139 0 0.269418 ] [ 0.889832 0 0.118972 ] [ 0.110168 0 0.881028 ] [ 0.852547 0 0.512092 ] [ 0.147453 0 0.487908 ] [ 0.182861 0.5 0.730582 ] [ 0.817139 0.5 0.269418 ] [ 0.389832 0.5 0.118972 ] [ 0.610168 0.5 0.881028 ] [ 0.352547 0.5 0.512092 ] [ 0.647453 0.5 0.487908 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.5840235177 "source-unit" "angstrom" } "b" { "source-value" 4.01589891879 "source-unit" "angstrom" } "c" { "source-value" 14.7751962956 "source-unit" "angstrom" } "beta" { "source-value" 139.94905162 "source-unit" "degree" } }