{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.791747 0.75 0.111734 ] [ 0.392919 0.75 0.186768 ] [ 0.208253 0.25 0.888266 ] [ 0.286201 0.75 0.60252 ] [ 0.607081 0.25 0.813232 ] [ 0.713799 0.25 0.39748 ] [ 0.465249 0.75 0.958571 ] [ 0.534751 0.25 0.041429 ] [ 0.606682 0.25 0.181078 ] [ 0.393318 0.75 0.818922 ] [ 0.643906 0.75 0.595099 ] [ 0.356094 0.25 0.404901 ] [ 0.905876 0.75 0.875944 ] [ 0.967829 0.75 0.363954 ] [ 0.032171 0.25 0.636046 ] [ 0.094124 0.25 0.124056 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "B" "B" "C" "C" "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" 8.35332825577 "source-unit" "angstrom" } "b" { "source-value" 3.772728 "source-unit" "angstrom" } "c" { "source-value" 11.3717528495 "source-unit" "angstrom" } "beta" { "source-value" 100.837013644 "source-unit" "degree" } }