{ "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" [ [ 0.760715 0.25 0.073799 ] [ 0.259393 0.012951 0.280427 ] [ 0.259393 0.487049 0.280427 ] [ 0.740607 0.512951 0.719573 ] [ 0.740607 0.987049 0.719573 ] [ 0.239285 0.75 0.926201 ] [ 0.770139 0.75 0.358286 ] [ 0.229861 0.25 0.641714 ] [ 0.726657 0.25 0.425861 ] [ 0.273343 0.75 0.574139 ] [ 0.742694 0.75 0.08897 ] [ 0.257306 0.25 0.91103 ] [ 0.262831 0.25 0.04577 ] [ 0.943365 0.75 0.157129 ] [ 0.548924 0.75 0.162238 ] [ 0.758187 0.066867 0.333579 ] [ 0.758187 0.433133 0.333579 ] [ 0.471956 0.25 0.488306 ] [ 0.088665 0.75 0.454037 ] [ 0.911335 0.25 0.545963 ] [ 0.528044 0.75 0.511694 ] [ 0.241813 0.566867 0.666421 ] [ 0.241813 0.933133 0.666421 ] [ 0.451076 0.25 0.837762 ] [ 0.056635 0.25 0.842871 ] [ 0.737169 0.75 0.95423 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mg" "Mg" "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" 5.65247844 "source-unit" "angstrom" } "b" { "source-value" 6.92906094 "source-unit" "angstrom" } "c" { "source-value" 9.62412673 "source-unit" "angstrom" } "beta" { "source-value" 90.31333735 "source-unit" "degree" } }