{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.842208 0.758099 0.8137 ] [ 0.157792 0.258099 0.1863 ] [ 0.31074 0.248162 0.723189 ] [ 0.68926 0.748162 0.276811 ] [ 0.439452 0.527219 0.27007 ] [ 0.942932 0.962474 0.287652 ] [ 0.462887 0.999791 0.258823 ] [ 0.119303 0.967942 0.716876 ] [ 0.560548 0.027219 0.72993 ] [ 0.05376 0.575466 0.025049 ] [ 0.94624 0.075466 0.974951 ] [ 0.743121 0.754528 0.519395 ] [ 0.880697 0.467942 0.283124 ] [ 0.057068 0.462474 0.712348 ] [ 0.537113 0.499791 0.741177 ] [ 0.256879 0.254528 0.480605 ] [ 0.356813 0.246519 0.966238 ] [ 0.643187 0.746519 0.033762 ] ] } "species" { "source-value" [ "Ce" "Ce" "Zr" "Zr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.35736183983 "source-unit" "angstrom" } "b" { "source-value" 5.9239292 "source-unit" "angstrom" } "c" { "source-value" 8.57743791789 "source-unit" "angstrom" } "beta" { "source-value" 102.366185002 "source-unit" "degree" } }