{ "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 ] [ 0.241379 0 0.342083 ] [ 0.24788 0.5 0.823474 ] [ 0.75212 0.5 0.176526 ] [ 0.758621 0 0.657917 ] ] } "species" { "source-value" [ "Ca" "Pb" "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" 7.37104061 "source-unit" "angstrom" } "b" { "source-value" 4.59503875 "source-unit" "angstrom" } "c" { "source-value" 8.02273099 "source-unit" "angstrom" } "beta" { "source-value" 90.26771844 "source-unit" "degree" } }