{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.792054 0.992113 0.206139 ] [ 0.792054 0.507887 0.206139 ] [ 0.207946 0.492113 0.793861 ] [ 0.207946 0.007887 0.793861 ] [ 0.247905 0.25 0.359167 ] [ 0.752095 0.75 0.640833 ] [ 0.279171 0.75 0.411532 ] [ 0.720829 0.25 0.588468 ] [ 0.258098 0.25 0.058349 ] [ 0.741902 0.75 0.941651 ] [ 0.719835 0.75 0.08253 ] [ 0.022164 0.25 0.1242 ] [ 0.474469 0.25 0.151729 ] [ 0.156975 0.936854 0.334967 ] [ 0.156975 0.563146 0.334967 ] [ 0.78126 0.25 0.416151 ] [ 0.596881 0.75 0.405807 ] [ 0.403119 0.25 0.594193 ] [ 0.21874 0.75 0.583849 ] [ 0.843025 0.436854 0.665033 ] [ 0.843025 0.063146 0.665033 ] [ 0.525531 0.75 0.848271 ] [ 0.977836 0.75 0.8758 ] [ 0.280165 0.25 0.91747 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Lu" "Lu" "P" "P" "C" "C" "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" 4.8911995 "source-unit" "angstrom" } "b" { "source-value" 6.70931726 "source-unit" "angstrom" } "c" { "source-value" 8.93509267 "source-unit" "angstrom" } "beta" { "source-value" 92.01224561 "source-unit" "degree" } }