{ "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" [ [ 0.718434 0.75 0.927107 ] [ 0.281566 0.25 0.072893 ] [ 0.784663 0.75 0.455618 ] [ 0.215337 0.25 0.544382 ] [ 0.205127 0.75 0.288869 ] [ 0.794873 0.25 0.711131 ] [ 0.997152 0.003619 0.228405 ] [ 0.002848 0.503619 0.771595 ] [ 0.642503 0.25 0.453528 ] [ 0.357497 0.75 0.546472 ] [ 0.589296 0.25 0.859783 ] [ 0.410704 0.75 0.140217 ] [ 0.997152 0.496381 0.228405 ] [ 0.002848 0.996381 0.771595 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "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" 7.07032915188 "source-unit" "angstrom" } "b" { "source-value" 7.12572773 "source-unit" "angstrom" } "c" { "source-value" 9.30405178737 "source-unit" "angstrom" } "beta" { "source-value" 108.408634616 "source-unit" "degree" } }