{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.908294 0 0.796673 ] [ 0.091706 0 0.203327 ] [ 0.408294 0.5 0.796673 ] [ 0.591706 0.5 0.203327 ] [ 0.802929 0 0.222815 ] [ 0.197071 0 0.777185 ] [ 0.302929 0.5 0.222815 ] [ 0.697071 0.5 0.777185 ] [ 0.92879 0 0.121167 ] [ 0.867302 0 0.496434 ] [ 0.777845 0.5 0.150025 ] [ 0.848267 0.5 0.788981 ] [ 0.151733 0.5 0.211019 ] [ 0.222155 0.5 0.849975 ] [ 0.132698 0 0.503566 ] [ 0.07121 0 0.878833 ] [ 0.42879 0.5 0.121167 ] [ 0.367302 0.5 0.496434 ] [ 0.277845 0 0.150025 ] [ 0.348267 0 0.788981 ] [ 0.651733 0 0.211019 ] [ 0.722155 0 0.849975 ] [ 0.632698 0.5 0.503566 ] [ 0.57121 0.5 0.878833 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.54895459 "source-unit" "angstrom" } "b" { "source-value" 3.91858663 "source-unit" "angstrom" } "c" { "source-value" 6.84163104 "source-unit" "angstrom" } "beta" { "source-value" 105.89299029 "source-unit" "degree" } }