{ "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" [ [ 0.8449 0 0.298471 ] [ 0 0 0 ] [ 0.1551 0 0.701529 ] [ 0.3449 0.5 0.298471 ] [ 0.5 0.5 0 ] [ 0.6551 0.5 0.701529 ] [ 0.136155 0.5 0.454537 ] [ 0.960364 0.5 0.213382 ] [ 0.199076 0 0.132117 ] [ 0.863845 0.5 0.545463 ] [ 0.800924 0 0.867883 ] [ 0.039636 0.5 0.786618 ] [ 0.636155 0 0.454537 ] [ 0.460364 0 0.213382 ] [ 0.699076 0.5 0.132117 ] [ 0.363845 0 0.545463 ] [ 0.300924 0.5 0.867883 ] [ 0.539636 0 0.786618 ] [ 0.819749 0.5 0.032791 ] [ 0.04298 0 0.331085 ] [ 0.778636 0 0.609115 ] [ 0.180251 0.5 0.967209 ] [ 0.121687 0.5 0.198239 ] [ 0.878313 0.5 0.801761 ] [ 0.95702 0 0.668915 ] [ 0 0.5 0.5 ] [ 0.221364 0 0.390885 ] [ 0.319749 0 0.032791 ] [ 0.54298 0.5 0.331085 ] [ 0.278636 0.5 0.609115 ] [ 0.680251 0 0.967209 ] [ 0.621687 0 0.198239 ] [ 0.378313 0 0.801761 ] [ 0.45702 0.5 0.668915 ] [ 0.5 0 0.5 ] [ 0.721364 0.5 0.390885 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.32993415 "source-unit" "angstrom" } "b" { "source-value" 4.00476631 "source-unit" "angstrom" } "c" { "source-value" 9.74983785 "source-unit" "angstrom" } "beta" { "source-value" 107.89860717 "source-unit" "degree" } }