{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.119075 0.5 0.944129 ] [ 0.117283 0 0.457553 ] [ 0.880925 0.5 0.055871 ] [ 0.882717 0 0.542447 ] [ 0.619075 0 0.944129 ] [ 0.617283 0.5 0.457553 ] [ 0.380925 0 0.055871 ] [ 0.382717 0.5 0.542447 ] ] } "species" { "source-value" [ "Ca" "Ca" "Pb" "Pb" "I" "I" "I" "I" "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" 17.13421907 "source-unit" "angstrom" } "b" { "source-value" 4.61322833 "source-unit" "angstrom" } "c" { "source-value" 8.06402781 "source-unit" "angstrom" } "beta" { "source-value" 118.06993621 "source-unit" "degree" } }