{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.249398 0.266989 0.74043 ] [ 0.249398 0.733011 0.74043 ] [ 0.746248 0.764618 0.258934 ] [ 0.746248 0.235382 0.258934 ] [ 0.235638 0 0.089935 ] [ 0.787941 0 0.662878 ] [ 0.210895 0.5 0.336437 ] [ 0.736812 0.5 0.582308 ] [ 0.286093 0 0.414848 ] [ 0.698193 0 0.963091 ] [ 0.284988 0.5 0.046274 ] [ 0.941498 0 0.926492 ] [ 0.328161 0.5 0.901028 ] [ 0.507686 0 0.849008 ] [ 0.837025 0.309767 0.674808 ] [ 0.837025 0.690233 0.674808 ] [ 0.186604 0 0.58181 ] [ 0.422149 0.5 0.552569 ] [ 0.594671 0 0.425709 ] [ 0.838602 0.5 0.410102 ] [ 0.177239 0.812282 0.312177 ] [ 0.177239 0.187718 0.312177 ] [ 0.481501 0.5 0.162928 ] [ 0.638359 0 0.109566 ] [ 0.049645 0.5 0.099248 ] ] } "species" { "source-value" [ "Li" "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" 5.046979 "source-unit" "angstrom" } "b" { "source-value" 6.49638817 "source-unit" "angstrom" } "c" { "source-value" 8.43464866 "source-unit" "angstrom" } "beta" { "source-value" 94.77941694 "source-unit" "degree" } }