{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.699578 0 ] [ 0.5 0.801916 0 ] [ 0 0.326887 0.5 ] [ 0.5 0.209551 0.5 ] [ 0.5 0.419163 0 ] [ 0 0.902328 0.5 ] [ 0.5 0.601837 0.5 ] [ 0 0.104365 0 ] [ 0.243628 0.259208 0.840277 ] [ 0.305153 0.589651 0.818313 ] [ 0.199293 0.92472 0.824757 ] [ 0.692593 0.428929 0.685772 ] [ 0.792114 0.085926 0.676186 ] [ 0.751286 0.749293 0.648568 ] [ 0.248714 0.749293 0.351432 ] [ 0.207886 0.085926 0.323814 ] [ 0.307407 0.428929 0.314228 ] [ 0.800707 0.92472 0.175243 ] [ 0.694847 0.589651 0.181687 ] [ 0.756372 0.259208 0.159723 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Te" "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" 4.94903027 "source-unit" "angstrom" } "b" { "source-value" 8.34078577 "source-unit" "angstrom" } "c" { "source-value" 5.03489372 "source-unit" "angstrom" } "beta" { "source-value" 91.02629758 "source-unit" "degree" } }