{ "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" [ [ 0.228778 0.75 0.088766 ] [ 0.756529 0.016666 0.240034 ] [ 0.756529 0.483334 0.240034 ] [ 0.243471 0.516666 0.759966 ] [ 0.243471 0.983334 0.759966 ] [ 0.771222 0.25 0.911234 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.280013 0.25 0.334674 ] [ 0.719987 0.75 0.665326 ] [ 0.343641 0.75 0.407835 ] [ 0.656359 0.25 0.592165 ] [ 0.267902 0.25 0.046361 ] [ 0.732098 0.75 0.953639 ] [ 0.73358 0.75 0.086204 ] [ 0.489549 0.25 0.110838 ] [ 0.049474 0.25 0.110858 ] [ 0.229244 0.944013 0.330526 ] [ 0.229244 0.555987 0.330526 ] [ 0.778294 0.25 0.446826 ] [ 0.642177 0.75 0.407556 ] [ 0.357823 0.25 0.592444 ] [ 0.221706 0.75 0.553174 ] [ 0.770756 0.055987 0.669474 ] [ 0.770756 0.444013 0.669474 ] [ 0.950526 0.75 0.889142 ] [ 0.510451 0.75 0.889162 ] [ 0.26642 0.25 0.913796 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Cu" "Cu" "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" 5.15926443 "source-unit" "angstrom" } "b" { "source-value" 6.43569339 "source-unit" "angstrom" } "c" { "source-value" 9.87895257 "source-unit" "angstrom" } "beta" { "source-value" 90.44226899 "source-unit" "degree" } }