{ "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" [ [ 0.003273 0 0.322564 ] [ 0.996727 0 0.677436 ] [ 0 0 0 ] [ 0.503273 0.5 0.322564 ] [ 0.496727 0.5 0.677436 ] [ 0.5 0.5 0 ] [ 0.094953 0.5 0.254015 ] [ 0.905047 0.5 0.745985 ] [ 0.285399 0 0.179597 ] [ 0.714601 0 0.820403 ] [ 0.594953 0 0.254015 ] [ 0.405047 0 0.745985 ] [ 0.785399 0.5 0.179597 ] [ 0.214601 0.5 0.820403 ] [ 0.165618 0.5 0.970704 ] [ 0.725985 0.5 0.71655 ] [ 0.74643 0 0.578262 ] [ 0.834382 0.5 0.029296 ] [ 0.25357 0 0.421738 ] [ 0 0.5 0.5 ] [ 0.274015 0.5 0.28345 ] [ 0.665618 0 0.970704 ] [ 0.225985 0 0.71655 ] [ 0.24643 0.5 0.578262 ] [ 0.334382 0 0.029296 ] [ 0.75357 0.5 0.421738 ] [ 0.5 0 0.5 ] [ 0.774015 0 0.28345 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "P" "P" "P" "P" "P" "P" "P" "P" "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" 15.5053548097 "source-unit" "angstrom" } "b" { "source-value" 4.03263801229 "source-unit" "angstrom" } "c" { "source-value" 12.573128994 "source-unit" "angstrom" } "beta" { "source-value" 142.327275913 "source-unit" "degree" } }