{ "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" [ [ 0.170645 0.25 0.218772 ] [ 0.829355 0.75 0.781228 ] [ 0.70809 0.25 0.338107 ] [ 0.29191 0.75 0.661893 ] [ 0.859138 0.75 0.096253 ] [ 0.140862 0.25 0.903747 ] [ 0.648952 0.75 0.110003 ] [ 0.351048 0.25 0.889997 ] [ 0.440156 0.75 0.121542 ] [ 0.559844 0.25 0.878458 ] [ 0.221153 0.75 0.416851 ] [ 0.778847 0.25 0.583149 ] [ 0.256451 0.75 0.539456 ] [ 0.743549 0.25 0.460544 ] ] } "species" { "source-value" [ "Ba" "Ba" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52777312366 "source-unit" "angstrom" } "b" { "source-value" 4.44218281 "source-unit" "angstrom" } "c" { "source-value" 9.80652460693 "source-unit" "angstrom" } "beta" { "source-value" 99.0630050272 "source-unit" "degree" } }