{ "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" [ [ 0.265903 0.75 0.947838 ] [ 0.734097 0.25 0.052162 ] [ 0.810842 0.25 0.579638 ] [ 0.189158 0.75 0.420362 ] [ 0.3513 0.25 0.630492 ] [ 0.6487 0.75 0.369508 ] [ 0.708358 0.75 0.785599 ] [ 0.291642 0.25 0.214401 ] [ 0.468099 0.492672 0.266023 ] [ 0.531901 0.992672 0.733977 ] [ 0.531901 0.507328 0.733977 ] [ 0.468099 0.007328 0.266023 ] [ 0.118208 0.25 0.365102 ] [ 0.881792 0.75 0.634898 ] [ 0.125324 0.25 0.966968 ] [ 0.874676 0.75 0.033032 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Re" "Re" "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" 6.59054914818 "source-unit" "angstrom" } "b" { "source-value" 6.06459666 "source-unit" "angstrom" } "c" { "source-value" 7.59404176756 "source-unit" "angstrom" } "beta" { "source-value" 109.890539715 "source-unit" "degree" } }