{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.279853 0.891458 0.744193 ] [ 0.720147 0.108542 0.255807 ] [ 0.279853 0.608542 0.244193 ] [ 0.720147 0.391458 0.755807 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.133299 0.956195 0.266678 ] [ 0.774934 0.681733 0.940283 ] [ 0.403984 0.676917 0.569508 ] [ 0.596016 0.176917 0.930492 ] [ 0.225066 0.181733 0.559717 ] [ 0.866701 0.456195 0.233322 ] [ 0.133299 0.543805 0.766678 ] [ 0.774934 0.818267 0.440283 ] [ 0.403984 0.823083 0.069508 ] [ 0.596016 0.323083 0.430492 ] [ 0.225066 0.318267 0.059717 ] [ 0.866701 0.043805 0.733322 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "I" "I" "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" 8.01605022 "source-unit" "angstrom" } "b" { "source-value" 9.15977505 "source-unit" "angstrom" } "c" { "source-value" 13.84669908 "source-unit" "angstrom" } "beta" { "source-value" 124.35659837 "source-unit" "degree" } }