{ "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" [ [ 0.257995 0.25 0.758922 ] [ 0.742005 0.75 0.241078 ] [ 0.213636 0.25 0.118554 ] [ 0.248842 0.75 0.500911 ] [ 0.751158 0.25 0.499089 ] [ 0.786364 0.75 0.881446 ] [ 0.753333 0.75 0.626576 ] [ 0.303697 0.75 0.000803 ] [ 0.246667 0.25 0.373424 ] [ 0.696303 0.25 0.999197 ] ] } "species" { "source-value" [ "Ba" "Ba" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.00686529293 "source-unit" "angstrom" } "b" { "source-value" 4.93026927 "source-unit" "angstrom" } "c" { "source-value" 11.070516571 "source-unit" "angstrom" } "beta" { "source-value" 91.4897526657 "source-unit" "degree" } }