{ "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 0.5 0 ] [ 0.836728 0 0.668239 ] [ 0.663272 0.5 0.331761 ] [ 0.5 0 0 ] [ 0.336728 0.5 0.668239 ] [ 0.163272 0 0.331761 ] [ 0.844659 0 0.179221 ] [ 0.655341 0.5 0.820779 ] [ 0.344659 0.5 0.179221 ] [ 0.155341 0 0.820779 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.822299 0.5 0.385091 ] [ 0.67159 0 0.05823 ] [ 0.677701 0 0.614909 ] [ 0.011714 0 0.768263 ] [ 0.988286 0 0.231737 ] [ 0.82841 0.5 0.94177 ] [ 0.322299 0 0.385091 ] [ 0.17159 0.5 0.05823 ] [ 0.177701 0.5 0.614909 ] [ 0.511714 0.5 0.768263 ] [ 0.488286 0.5 0.231737 ] [ 0.32841 0 0.94177 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Cu" "Cu" "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" 13.1837849 "source-unit" "angstrom" } "b" { "source-value" 2.95076205 "source-unit" "angstrom" } "c" { "source-value" 6.01210948 "source-unit" "angstrom" } "beta" { "source-value" 103.41586663 "source-unit" "degree" } }