{ "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" [ [ 0.071302 0.75 0.152276 ] [ 0.928698 0.25 0.847724 ] [ 0.426012 0.25 0.349238 ] [ 0.573988 0.75 0.650762 ] [ 0.077655 0.25 0.334574 ] [ 0.160642 0.75 0.926164 ] [ 0.322139 0.75 0.486067 ] [ 0.361647 0.25 0.139928 ] [ 0.367785 0.25 0.711078 ] [ 0.632215 0.75 0.288922 ] [ 0.638353 0.75 0.860072 ] [ 0.677861 0.25 0.513933 ] [ 0.839358 0.25 0.073836 ] [ 0.922345 0.75 0.665426 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.2550915 "source-unit" "angstrom" } "b" { "source-value" 4.8736572 "source-unit" "angstrom" } "c" { "source-value" 15.03418883 "source-unit" "angstrom" } "beta" { "source-value" 90.31939153 "source-unit" "degree" } }