{ "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" [ [ 0.062093 0.25 0.844973 ] [ 0.937907 0.75 0.155027 ] [ 0.43209 0.75 0.652379 ] [ 0.56791 0.25 0.347621 ] [ 0.077951 0.75 0.661676 ] [ 0.158868 0.25 0.074208 ] [ 0.324188 0.25 0.517499 ] [ 0.362212 0.75 0.859152 ] [ 0.363052 0.75 0.286463 ] [ 0.636948 0.25 0.713537 ] [ 0.637788 0.25 0.140848 ] [ 0.675812 0.75 0.482501 ] [ 0.841132 0.75 0.925792 ] [ 0.922049 0.25 0.338324 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.35173201 "source-unit" "angstrom" } "b" { "source-value" 4.6924864 "source-unit" "angstrom" } "c" { "source-value" 13.83565161 "source-unit" "angstrom" } "beta" { "source-value" 91.41141901 "source-unit" "degree" } }