{ "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" [ [ 0.016786 0 0.795117 ] [ 0.983214 0 0.204883 ] [ 0.516786 0.5 0.795117 ] [ 0.483214 0.5 0.204883 ] [ 0.311182 0.5 0.429883 ] [ 0.688818 0.5 0.570117 ] [ 0.811182 0 0.429883 ] [ 0.188818 0 0.570117 ] [ 0.791178 0 0.905213 ] [ 0.208822 0 0.094787 ] [ 0.291178 0.5 0.905213 ] [ 0.708822 0.5 0.094787 ] [ 0.267232 0 0.435059 ] [ 0.046884 0 0.62474 ] [ 0.10145 0.5 0.252098 ] [ 0.89855 0.5 0.747902 ] [ 0.732768 0 0.564941 ] [ 0.953116 0 0.37526 ] [ 0.767232 0.5 0.435059 ] [ 0.546884 0.5 0.62474 ] [ 0.60145 0 0.252098 ] [ 0.39855 0 0.747902 ] [ 0.232768 0.5 0.564941 ] [ 0.453116 0.5 0.37526 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Ti" "Ti" "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.84150560318 "source-unit" "angstrom" } "b" { "source-value" 3.92209919014 "source-unit" "angstrom" } "c" { "source-value" 11.7787257165 "source-unit" "angstrom" } "beta" { "source-value" 126.365583994 "source-unit" "degree" } }