{ "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" [ [ 0.307375 0.048894 0.203601 ] [ 0.307375 0.451106 0.703601 ] [ 0.692625 0.951106 0.796399 ] [ 0.692625 0.548894 0.296399 ] [ 0.064045 0.662495 0.03843 ] [ 0.935955 0.162495 0.46157 ] [ 0.935955 0.337505 0.96157 ] [ 0.064045 0.837505 0.53843 ] [ 0.583273 0.229333 0.501789 ] [ 0.102026 0.390529 0.288116 ] [ 0.416727 0.729333 0.998211 ] [ 0.416727 0.770667 0.498211 ] [ 0.897974 0.609471 0.711884 ] [ 0.897974 0.890529 0.211884 ] [ 0.102026 0.109471 0.788116 ] [ 0.583273 0.270667 0.001789 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60133521738 "source-unit" "angstrom" } "b" { "source-value" 7.35572918 "source-unit" "angstrom" } "c" { "source-value" 7.09411902337 "source-unit" "angstrom" } "beta" { "source-value" 97.1749126584 "source-unit" "degree" } }