{ "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" [ [ 0.775889 0 0.60233 ] [ 0.657927 0.5 0.690938 ] [ 0.941558 0.5 0.194858 ] [ 0.058442 0.5 0.805142 ] [ 0.342073 0.5 0.309062 ] [ 0.224111 0 0.39767 ] [ 0.275889 0.5 0.60233 ] [ 0.157927 0 0.690938 ] [ 0.441558 0 0.194858 ] [ 0.558442 0 0.805142 ] [ 0.842073 0 0.309062 ] [ 0.724111 0.5 0.39767 ] [ 0.960324 0.5 0.532519 ] [ 0.039676 0.5 0.467481 ] [ 0.076818 0 0.415639 ] [ 0.923182 0 0.584361 ] [ 0.460324 0 0.532519 ] [ 0.539676 0 0.467481 ] [ 0.576818 0.5 0.415639 ] [ 0.423182 0.5 0.584361 ] [ 0.800053 0 0.939906 ] [ 0.907091 0.5 0.829077 ] [ 0.199947 0 0.060094 ] [ 0.092909 0.5 0.170923 ] [ 0.300053 0.5 0.939906 ] [ 0.407091 0 0.829077 ] [ 0.699947 0.5 0.060094 ] [ 0.592909 0 0.170923 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 19.5035394188 "source-unit" "angstrom" } "b" { "source-value" 4.21671620591 "source-unit" "angstrom" } "c" { "source-value" 16.7196694718 "source-unit" "angstrom" } "beta" { "source-value" 141.771000337 "source-unit" "degree" } }