{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.301148 0.050906 0.161044 ] [ 0.698852 0.050906 0.338956 ] [ 0.698852 0.949094 0.838956 ] [ 0.301148 0.949094 0.661044 ] [ 0.801148 0.550906 0.161044 ] [ 0.198852 0.550906 0.338956 ] [ 0.198852 0.449094 0.838956 ] [ 0.801148 0.449094 0.661044 ] [ 0 0.934963 0.75 ] [ 0 0.065037 0.25 ] [ 0.5 0.434963 0.75 ] [ 0.5 0.565037 0.25 ] [ 0 0.680146 0.75 ] [ 0 0.319854 0.25 ] [ 0.853125 0.064793 0.685253 ] [ 0.146875 0.064793 0.814747 ] [ 0.146875 0.935207 0.314747 ] [ 0.853125 0.935207 0.185253 ] [ 0.5 0.180146 0.75 ] [ 0.5 0.819854 0.25 ] [ 0.353125 0.564793 0.685253 ] [ 0.646875 0.564793 0.814747 ] [ 0.646875 0.435207 0.314747 ] [ 0.353125 0.435207 0.185253 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "C" "C" "C" "C" "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" 8.41820012804 "source-unit" "angstrom" } "b" { "source-value" 5.04435226633 "source-unit" "angstrom" } "c" { "source-value" 6.34779179617 "source-unit" "angstrom" } "beta" { "source-value" 114.2362336 "source-unit" "degree" } }