{ "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" [ [ 0.822772 0.25 0.264082 ] [ 0.177228 0.75 0.735918 ] [ 0.653084 0.25 0.641751 ] [ 0.346916 0.75 0.358249 ] [ 0.568238 0.75 0.339229 ] [ 0.122609 0.75 0.381549 ] [ 0.877391 0.25 0.618451 ] [ 0.431762 0.25 0.660771 ] [ 0.254783 0.25 0.041993 ] [ 0.745217 0.75 0.958007 ] ] } "species" { "source-value" [ "La" "La" "C" "C" "N" "N" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.36357191226 "source-unit" "angstrom" } "b" { "source-value" 4.03845871 "source-unit" "angstrom" } "c" { "source-value" 7.62975267843 "source-unit" "angstrom" } "beta" { "source-value" 100.341544918 "source-unit" "degree" } }