{ "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" [ [ 0.840305 0.5 0.480012 ] [ 0.159695 0.5 0.519988 ] [ 0 0 0 ] [ 0.340305 0 0.480012 ] [ 0.659695 0 0.519988 ] [ 0.5 0.5 0 ] [ 0.934392 0.5 0.181018 ] [ 0.77321 0 0.29951 ] [ 0.095856 0 0.311256 ] [ 0.904144 0 0.688744 ] [ 0.22679 0 0.70049 ] [ 0.065608 0.5 0.818982 ] [ 0.434392 0 0.181018 ] [ 0.27321 0.5 0.29951 ] [ 0.595856 0.5 0.311256 ] [ 0.404144 0.5 0.688744 ] [ 0.72679 0.5 0.70049 ] [ 0.565608 0 0.818982 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 14.26522914 "source-unit" "angstrom" } "b" { "source-value" 2.981976 "source-unit" "angstrom" } "c" { "source-value" 4.78941926 "source-unit" "angstrom" } "beta" { "source-value" 91.93198307 "source-unit" "degree" } }