{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.001867 0.60206 0.164005 ] [ 0.998133 0.10206 0.335995 ] [ 0.001867 0.89794 0.664005 ] [ 0.998133 0.39794 0.835995 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.461287 0.229552 0.578619 ] [ 0.538713 0.729552 0.921381 ] [ 0.538713 0.770448 0.421381 ] [ 0.461287 0.270448 0.078619 ] [ 0.528857 0.402356 0.33547 ] [ 0.471143 0.902356 0.16453 ] [ 0.528857 0.097644 0.83547 ] [ 0.471143 0.597644 0.66453 ] [ 0.321976 0.089819 0.138874 ] [ 0.678024 0.589819 0.361126 ] [ 0.773148 0.891253 0.460186 ] [ 0.226852 0.391253 0.039814 ] [ 0.226852 0.108747 0.539814 ] [ 0.773148 0.608747 0.960186 ] [ 0.212487 0.089615 0.83139 ] [ 0.787513 0.589615 0.66861 ] [ 0.787513 0.910385 0.16861 ] [ 0.212487 0.410385 0.33139 ] [ 0.661218 0.161859 0.696395 ] [ 0.338782 0.661859 0.803605 ] [ 0.338782 0.838141 0.303605 ] [ 0.661218 0.338141 0.196395 ] [ 0.642772 0.224229 0.949309 ] [ 0.357228 0.724229 0.550691 ] [ 0.357228 0.775771 0.050691 ] [ 0.642772 0.275771 0.449309 ] [ 0.678024 0.910181 0.861126 ] [ 0.321976 0.410181 0.638874 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Cu" "Cu" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.56130210599 "source-unit" "angstrom" } "b" { "source-value" 7.20626232 "source-unit" "angstrom" } "c" { "source-value" 9.2979974786 "source-unit" "angstrom" } "beta" { "source-value" 90.082971686 "source-unit" "degree" } }