{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.252861 0 0.307026 ] [ 0.236918 0.5 0.857288 ] [ 0.763082 0.5 0.142712 ] [ 0.747139 0 0.692974 ] ] } "species" { "source-value" [ "Ba" "Ca" "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" 7.31061419 "source-unit" "angstrom" } "b" { "source-value" 4.82239451 "source-unit" "angstrom" } "c" { "source-value" 8.51666725 "source-unit" "angstrom" } "beta" { "source-value" 90.52942063 "source-unit" "degree" } }