{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.665637 0 0.101839 ] [ 0.999452 0 0.008126 ] [ 0.999728 0 0.503981 ] [ 0.333092 0 0.607027 ] [ 0.165637 0.5 0.101839 ] [ 0.499452 0.5 0.008126 ] [ 0.499728 0.5 0.503981 ] [ 0.833092 0.5 0.607027 ] [ 0.08905 0.743587 0.782409 ] [ 0.08905 0.256413 0.782409 ] [ 0.171874 0 0.27709 ] [ 0.58905 0.243587 0.782409 ] [ 0.58905 0.756413 0.782409 ] [ 0.671874 0.5 0.27709 ] [ 0.831207 0 0.793022 ] [ 0.91573 0.746078 0.279251 ] [ 0.91573 0.253922 0.279251 ] [ 0.331207 0.5 0.793022 ] [ 0.41573 0.246078 0.279251 ] [ 0.41573 0.753922 0.279251 ] [ 0.669423 0 0.489038 ] [ 0.336275 0 0.007115 ] [ 0.169423 0.5 0.489038 ] [ 0.836275 0.5 0.007115 ] [ 0.08131 0.766647 0.389177 ] [ 0.510697 0 0.684475 ] [ 0.661636 0 0.893358 ] [ 0.00091 0 0.692503 ] [ 0.002358 0 0.1876 ] [ 0.08131 0.233353 0.389177 ] [ 0.239771 0.740745 0.684688 ] [ 0.239771 0.259255 0.684688 ] [ 0.156144 0 0.90344 ] [ 0.844018 0 0.390188 ] [ 0.254698 0.222245 0.162788 ] [ 0.254698 0.777755 0.162788 ] [ 0.328863 0 0.386319 ] [ 0.92223 0.763273 0.903923 ] [ 0.483082 0 0.162568 ] [ 0.92223 0.236727 0.903923 ] [ 0.58131 0.266647 0.389177 ] [ 0.010697 0.5 0.684475 ] [ 0.161636 0.5 0.893358 ] [ 0.50091 0.5 0.692503 ] [ 0.502358 0.5 0.1876 ] [ 0.58131 0.733353 0.389177 ] [ 0.739771 0.240745 0.684688 ] [ 0.739771 0.759255 0.684688 ] [ 0.656144 0.5 0.90344 ] [ 0.344018 0.5 0.390188 ] [ 0.754698 0.722245 0.162788 ] [ 0.754698 0.277755 0.162788 ] [ 0.828863 0.5 0.386319 ] [ 0.42223 0.263273 0.903923 ] [ 0.983082 0.5 0.162568 ] [ 0.42223 0.736727 0.903923 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.35108083 "source-unit" "angstrom" } "b" { "source-value" 6.00554849 "source-unit" "angstrom" } "c" { "source-value" 10.1550486 "source-unit" "angstrom" } "beta" { "source-value" 90.32232869 "source-unit" "degree" } }