{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.164977 0 0.336317 ] [ 0.835023 0 0.663683 ] [ 0.664977 0.5 0.336317 ] [ 0.335023 0.5 0.663683 ] [ 0.861126 0.234749 0.18331 ] [ 0.138874 0.234749 0.81669 ] [ 0.495732 0 0.204109 ] [ 0.504268 0 0.795891 ] [ 0.861126 0.765251 0.18331 ] [ 0.138874 0.765251 0.81669 ] [ 0.361126 0.734749 0.18331 ] [ 0.638874 0.734749 0.81669 ] [ 0.995732 0.5 0.204109 ] [ 0.004268 0.5 0.795891 ] [ 0.361126 0.265251 0.18331 ] [ 0.638874 0.265251 0.81669 ] ] } "species" { "source-value" [ "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" 10.3198660358 "source-unit" "angstrom" } "b" { "source-value" 7.89434640111 "source-unit" "angstrom" } "c" { "source-value" 6.13350561084 "source-unit" "angstrom" } "beta" { "source-value" 113.426843037 "source-unit" "degree" } }