{ "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" [ [ 0.231189 0.75 0.079261 ] [ 0.754461 0.997117 0.257737 ] [ 0.754461 0.502883 0.257737 ] [ 0.245539 0.497117 0.742263 ] [ 0.245539 0.002883 0.742263 ] [ 0.768811 0.25 0.920739 ] [ 0.220154 0.25 0.347471 ] [ 0.779846 0.75 0.652529 ] [ 0.307611 0.75 0.420882 ] [ 0.692389 0.25 0.579118 ] [ 0.283518 0.25 0.057803 ] [ 0.716482 0.75 0.942197 ] [ 0.74144 0.75 0.082746 ] [ 0.078626 0.25 0.132372 ] [ 0.502769 0.25 0.124798 ] [ 0.224996 0.948727 0.307889 ] [ 0.224996 0.551273 0.307889 ] [ 0.636171 0.75 0.447975 ] [ 0.825425 0.25 0.415962 ] [ 0.174575 0.75 0.584038 ] [ 0.363829 0.25 0.552025 ] [ 0.775004 0.448727 0.692111 ] [ 0.775004 0.051273 0.692111 ] [ 0.497231 0.75 0.875202 ] [ 0.921374 0.75 0.867628 ] [ 0.25856 0.25 0.917254 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "As" "As" "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" 5.30529728 "source-unit" "angstrom" } "b" { "source-value" 6.7383843 "source-unit" "angstrom" } "c" { "source-value" 9.20655953 "source-unit" "angstrom" } "beta" { "source-value" 92.99423509 "source-unit" "degree" } }