{ "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" [ [ 0.900905 0.5 0.094012 ] [ 0.099095 0.5 0.905988 ] [ 0.130867 0 0.35662 ] [ 0.869133 0 0.64338 ] [ 0.400905 0 0.094012 ] [ 0.599095 0 0.905988 ] [ 0.630867 0.5 0.35662 ] [ 0.369133 0.5 0.64338 ] [ 0.226125 0.248106 0.765981 ] [ 0.773875 0.248106 0.234019 ] [ 0.773875 0.751894 0.234019 ] [ 0.226125 0.751894 0.765981 ] [ 0 0.251045 0.5 ] [ 0 0.748955 0.5 ] [ 0.904584 0 0.087542 ] [ 0.095416 0 0.912458 ] [ 0.133276 0.5 0.360608 ] [ 0.866724 0.5 0.639392 ] [ 0.726125 0.748106 0.765981 ] [ 0.273875 0.748106 0.234019 ] [ 0.273875 0.251894 0.234019 ] [ 0.726125 0.251894 0.765981 ] [ 0.5 0.751045 0.5 ] [ 0.5 0.248955 0.5 ] [ 0.404584 0.5 0.087542 ] [ 0.595416 0.5 0.912458 ] [ 0.633276 0 0.360608 ] [ 0.366724 0 0.639392 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "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" 14.4055112873 "source-unit" "angstrom" } "b" { "source-value" 5.91394187267 "source-unit" "angstrom" } "c" { "source-value" 6.87809845839 "source-unit" "angstrom" } "beta" { "source-value" 117.128642707 "source-unit" "degree" } }