{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.647522 0.227462 0.820925 ] [ 0.147522 0.772538 0.320925 ] [ 0.007418 0.08192 0.452952 ] [ 0.507418 0.91808 0.952952 ] [ 0.355804 0.424068 0.250123 ] [ 0.855804 0.575932 0.750123 ] [ 0.830426 0.42366 0.158099 ] [ 0.330426 0.57634 0.658099 ] [ 0.742945 0.609928 0.211869 ] [ 0.242945 0.390072 0.711869 ] [ 0.886164 0.343889 0.502177 ] [ 0.386164 0.656111 0.002177 ] [ 0.996393 0.984517 0.991784 ] [ 0.496393 0.015483 0.491784 ] [ 0.670634 0.848094 0.463424 ] [ 0.170634 0.151906 0.963424 ] [ 0.009392 0.841817 0.749249 ] [ 0.509392 0.158183 0.249249 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.68505847971 "source-unit" "angstrom" } "b" { "source-value" 12.77320834 "source-unit" "angstrom" } "c" { "source-value" 6.69286843558 "source-unit" "angstrom" } "beta" { "source-value" 104.237494037 "source-unit" "degree" } }