{ "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" [ [ 0.257912 0.25 0.046292 ] [ 0.742088 0.75 0.953708 ] [ 0.881683 0.75 0.391672 ] [ 0.118317 0.25 0.608328 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.268651 0.75 0.364776 ] [ 0.731349 0.25 0.635224 ] [ 0.2877 0.75 0.105863 ] [ 0.7123 0.25 0.894137 ] [ 0.959088 0.25 0.341916 ] [ 0.040912 0.75 0.658084 ] [ 0.681891 0.010468 0.283608 ] [ 0.318109 0.510468 0.716392 ] [ 0.318109 0.989532 0.716392 ] [ 0.681891 0.489532 0.283608 ] ] } "species" { "source-value" [ "K" "K" "Cu" "Cu" "Pd" "Pd" "Se" "Se" "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" 6.27905260586 "source-unit" "angstrom" } "b" { "source-value" 7.40717276 "source-unit" "angstrom" } "c" { "source-value" 9.10410721751 "source-unit" "angstrom" } "beta" { "source-value" 103.329458268 "source-unit" "degree" } }