{ "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 0 0 ] [ 0 0.5 0 ] [ 0.027384 0.442139 0.326383 ] [ 0.972616 0.557861 0.673617 ] [ 0.972616 0.942139 0.673617 ] [ 0.027384 0.057861 0.326383 ] [ 0.708062 0.75 0.163043 ] [ 0.440705 0.75 0.432207 ] [ 0.559295 0.25 0.567793 ] [ 0.582385 0.75 0.876313 ] [ 0.291938 0.25 0.836957 ] [ 0.417615 0.25 0.123687 ] [ 0.721366 0.11105 0.555863 ] [ 0.249847 0.110913 0.1379 ] [ 0.721366 0.38895 0.555863 ] [ 0.495359 0.25 0.967378 ] [ 0.504641 0.75 0.032622 ] [ 0.278634 0.61105 0.444137 ] [ 0.278634 0.88895 0.444137 ] [ 0.31925 0.75 0.79596 ] [ 0.130201 0.389127 0.836256 ] [ 0.494934 0.25 0.727565 ] [ 0.249847 0.389087 0.1379 ] [ 0.869799 0.889127 0.163744 ] [ 0.701538 0.75 0.517597 ] [ 0.298462 0.25 0.482403 ] [ 0.750153 0.610913 0.8621 ] [ 0.68075 0.25 0.20404 ] [ 0.869799 0.610873 0.163744 ] [ 0.130201 0.110873 0.836256 ] [ 0.505066 0.75 0.272435 ] [ 0.750153 0.889087 0.8621 ] ] } "species" { "source-value" [ "Li" "Li" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "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" 5.07929578 "source-unit" "angstrom" } "b" { "source-value" 9.21871725 "source-unit" "angstrom" } "c" { "source-value" 10.05103732 "source-unit" "angstrom" } "beta" { "source-value" 94.63393568 "source-unit" "degree" } }