{ "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" [ [ 0.785141 0.012562 0.212147 ] [ 0.214859 0.987438 0.787853 ] [ 0.214859 0.512562 0.787853 ] [ 0.785141 0.487438 0.212147 ] [ 0.786722 0.75 0.646958 ] [ 0.213278 0.25 0.353042 ] [ 0.727131 0.25 0.575694 ] [ 0.272869 0.75 0.424306 ] [ 0.742948 0.75 0.940249 ] [ 0.257052 0.25 0.059751 ] [ 0.172124 0.942891 0.331174 ] [ 0.973868 0.75 0.880044 ] [ 0.457821 0.25 0.165965 ] [ 0.542179 0.75 0.834035 ] [ 0.172124 0.557109 0.331174 ] [ 0.169378 0.75 0.592003 ] [ 0.026132 0.25 0.119956 ] [ 0.827876 0.442891 0.668826 ] [ 0.827876 0.057109 0.668826 ] [ 0.420576 0.25 0.55536 ] [ 0.714146 0.75 0.085879 ] [ 0.285854 0.25 0.914121 ] [ 0.579424 0.75 0.44464 ] [ 0.830622 0.25 0.407997 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 5.09429287581 "source-unit" "angstrom" } "b" { "source-value" 6.40292645 "source-unit" "angstrom" } "c" { "source-value" 8.55393108955 "source-unit" "angstrom" } "beta" { "source-value" 93.7076948035 "source-unit" "degree" } }