{ "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" [ [ 0.602964 0 0.833382 ] [ 0.397036 0 0.166618 ] [ 0.102964 0.5 0.833382 ] [ 0.897036 0.5 0.166618 ] [ 0.867628 0 0.60821 ] [ 0.132372 0 0.39179 ] [ 0.367628 0.5 0.60821 ] [ 0.632372 0.5 0.39179 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.652778 0 0.500587 ] [ 0.867847 0.234088 0.867616 ] [ 0.916477 0 0.306925 ] [ 0.083523 0 0.693075 ] [ 0.347222 0 0.499413 ] [ 0.132153 0.765912 0.132384 ] [ 0.132153 0.234088 0.132384 ] [ 0.867847 0.765912 0.867616 ] [ 0.152778 0.5 0.500587 ] [ 0.367847 0.734088 0.867616 ] [ 0.416477 0.5 0.306925 ] [ 0.583523 0.5 0.693075 ] [ 0.847222 0.5 0.499413 ] [ 0.632153 0.265912 0.132384 ] [ 0.632153 0.734088 0.132384 ] [ 0.367847 0.265912 0.867616 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Hg" "Hg" "Hg" "Hg" "Pd" "Pd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.2552624836 "source-unit" "angstrom" } "b" { "source-value" 7.45814482427 "source-unit" "angstrom" } "c" { "source-value" 10.7897456321 "source-unit" "angstrom" } "beta" { "source-value" 109.697260445 "source-unit" "degree" } }