{ "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" [ [ 0.793795 0.995714 0.202898 ] [ 0.793795 0.504286 0.202898 ] [ 0.206205 0.495714 0.797102 ] [ 0.206205 0.004286 0.797102 ] [ 0.246858 0.25 0.365785 ] [ 0.753142 0.75 0.634215 ] [ 0.263921 0.75 0.409867 ] [ 0.736079 0.25 0.590133 ] [ 0.259876 0.25 0.059877 ] [ 0.740124 0.75 0.940123 ] [ 0.709113 0.75 0.079858 ] [ 0.028954 0.25 0.117874 ] [ 0.470234 0.25 0.154703 ] [ 0.144074 0.932153 0.326273 ] [ 0.144074 0.567847 0.326273 ] [ 0.798377 0.25 0.422272 ] [ 0.573391 0.75 0.405093 ] [ 0.426609 0.25 0.594907 ] [ 0.201623 0.75 0.577728 ] [ 0.855926 0.432153 0.673727 ] [ 0.855926 0.067847 0.673727 ] [ 0.529766 0.75 0.845297 ] [ 0.971046 0.75 0.882126 ] [ 0.290887 0.25 0.920142 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Tl" "Tl" "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" 5.08010842 "source-unit" "angstrom" } "b" { "source-value" 6.71180521 "source-unit" "angstrom" } "c" { "source-value" 9.00212747 "source-unit" "angstrom" } "beta" { "source-value" 92.77691921 "source-unit" "degree" } }