{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.51116 0.75 ] [ 0.5 0.98884 0.25 ] [ 0.5 0.01116 0.75 ] [ 0 0.48884 0.25 ] [ 0.319922 0.771994 0.691773 ] [ 0.180078 0.728006 0.308227 ] [ 0.561182 0.755042 0.433159 ] [ 0.438818 0.755042 0.066841 ] [ 0.180078 0.271994 0.808227 ] [ 0.319922 0.228006 0.191773 ] [ 0.938818 0.744958 0.566841 ] [ 0.061182 0.744958 0.933159 ] [ 0.819922 0.271994 0.691773 ] [ 0.680078 0.228006 0.308227 ] [ 0.061182 0.255042 0.433159 ] [ 0.938818 0.255042 0.066841 ] [ 0.680078 0.771994 0.808227 ] [ 0.819922 0.728006 0.191773 ] [ 0.438818 0.244958 0.566841 ] [ 0.561182 0.244958 0.933159 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.0314353133 "source-unit" "angstrom" } "b" { "source-value" 5.83978351177 "source-unit" "angstrom" } "c" { "source-value" 12.9871644816 "source-unit" "angstrom" } "beta" { "source-value" 127.673263288 "source-unit" "degree" } }