{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.698797 0.25 ] [ 0 0.301203 0.75 ] [ 0.5 0.198797 0.25 ] [ 0.5 0.801203 0.75 ] [ 0 0.101223 0.25 ] [ 0 0.898777 0.75 ] [ 0.5 0.601223 0.25 ] [ 0.5 0.398777 0.75 ] [ 0.709845 0.089445 0.768896 ] [ 0.290155 0.910555 0.231104 ] [ 0.709845 0.910555 0.268896 ] [ 0.290155 0.089445 0.731104 ] [ 0.209845 0.589445 0.768896 ] [ 0.790155 0.410555 0.231104 ] [ 0.209845 0.410555 0.268896 ] [ 0.790155 0.589445 0.731104 ] [ 0.351077 0.011 0.504224 ] [ 0.648923 0.011 0.995776 ] [ 0.648923 0.989 0.495776 ] [ 0.351077 0.989 0.004224 ] [ 0.859891 0.754099 0.802831 ] [ 0.140109 0.754099 0.697169 ] [ 0.140109 0.245901 0.197169 ] [ 0.859891 0.245901 0.302831 ] [ 0.114357 0.92114 0.136815 ] [ 0.885643 0.92114 0.363185 ] [ 0.114357 0.07886 0.636815 ] [ 0.885643 0.07886 0.863185 ] [ 0.851077 0.511 0.504224 ] [ 0.148923 0.511 0.995776 ] [ 0.148923 0.489 0.495776 ] [ 0.851077 0.489 0.004224 ] [ 0.359891 0.254099 0.802831 ] [ 0.640109 0.254099 0.697169 ] [ 0.640109 0.745901 0.197169 ] [ 0.359891 0.745901 0.302831 ] [ 0.614357 0.42114 0.136815 ] [ 0.385643 0.42114 0.363185 ] [ 0.614357 0.57886 0.636815 ] [ 0.385643 0.57886 0.863185 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 9.79181469555 "source-unit" "angstrom" } "b" { "source-value" 8.90421533949 "source-unit" "angstrom" } "c" { "source-value" 5.35110745072 "source-unit" "angstrom" } "beta" { "source-value" 107.169247405 "source-unit" "degree" } }