{ "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" [ [ 0.684079 0 0.35861 ] [ 0.315921 0 0.64139 ] [ 0.184079 0.5 0.35861 ] [ 0.815921 0.5 0.64139 ] [ 0 0 0 ] [ 0.907391 0.764304 0.235781 ] [ 0.092609 0.764304 0.764219 ] [ 0.092609 0.235696 0.764219 ] [ 0.907391 0.235696 0.235781 ] [ 0.5 0.5 0 ] [ 0.407391 0.264304 0.235781 ] [ 0.592609 0.264304 0.764219 ] [ 0.592609 0.735696 0.764219 ] [ 0.407391 0.735696 0.235781 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.6964143478 "source-unit" "angstrom" } "b" { "source-value" 9.40884970493 "source-unit" "angstrom" } "c" { "source-value" 5.91587394812 "source-unit" "angstrom" } "beta" { "source-value" 118.079635927 "source-unit" "degree" } }