{ "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" [ [ 0.779589 0.92713 0.136662 ] [ 0.720411 0.42713 0.863338 ] [ 0.220411 0.07287 0.863338 ] [ 0.279589 0.57287 0.136662 ] [ 0.73039 0.882202 0.63201 ] [ 0.76961 0.382202 0.36799 ] [ 0.26961 0.117798 0.36799 ] [ 0.23039 0.617798 0.63201 ] [ 0.460842 0.776074 0.802714 ] [ 0.039158 0.276074 0.197286 ] [ 0.539158 0.223926 0.197286 ] [ 0.960842 0.723926 0.802714 ] [ 0.731438 0.588243 0.179973 ] [ 0.768562 0.088243 0.820027 ] [ 0.268562 0.411757 0.820027 ] [ 0.231438 0.911757 0.179973 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.29630402806 "source-unit" "angstrom" } "b" { "source-value" 7.59682643 "source-unit" "angstrom" } "c" { "source-value" 7.60207144229 "source-unit" "angstrom" } "beta" { "source-value" 100.400046433 "source-unit" "degree" } }