{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.508413 0.539316 0.25066 ] [ 0.991587 0.039316 0.24934 ] [ 0.491587 0.460684 0.74934 ] [ 0.008413 0.960684 0.75066 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.083453 0.477528 0.257442 ] [ 0.416547 0.977528 0.242558 ] [ 0.916547 0.522472 0.742558 ] [ 0.583453 0.022472 0.757442 ] [ 0.297156 0.717386 0.95425 ] [ 0.202844 0.217386 0.54575 ] [ 0.702844 0.282614 0.04575 ] [ 0.797156 0.782614 0.45425 ] [ 0.781228 0.796633 0.043105 ] [ 0.718772 0.296633 0.456895 ] [ 0.218772 0.203367 0.956895 ] [ 0.281228 0.703367 0.543105 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Ti" "Ti" "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" 5.58452008618 "source-unit" "angstrom" } "b" { "source-value" 5.65928959 "source-unit" "angstrom" } "c" { "source-value" 7.92403457704 "source-unit" "angstrom" } "beta" { "source-value" 90.095246541 "source-unit" "degree" } }