{ "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" [ [ 0.31302 0.5 0.178888 ] [ 0.68698 0.5 0.821112 ] [ 0.089083 0.5 0.375767 ] [ 0.910917 0.5 0.624233 ] [ 0.81302 0 0.178888 ] [ 0.18698 0 0.821112 ] [ 0.589083 0 0.375767 ] [ 0.410917 0 0.624233 ] [ 0.880952 0 0.817665 ] [ 0.119048 0 0.182335 ] [ 0.380952 0.5 0.817665 ] [ 0.619048 0.5 0.182335 ] [ 0.297223 0 0.223548 ] [ 0.702777 0 0.776452 ] [ 0 0.250079 0 ] [ 0 0.749921 0 ] [ 0.887279 0 0.598048 ] [ 0.112721 0 0.401952 ] [ 0.797223 0.5 0.223548 ] [ 0.202777 0.5 0.776452 ] [ 0.5 0.750079 0 ] [ 0.5 0.249921 0 ] [ 0.387279 0.5 0.598048 ] [ 0.612721 0.5 0.401952 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.34650872 "source-unit" "angstrom" } "b" { "source-value" 7.26125839 "source-unit" "angstrom" } "c" { "source-value" 10.36972578 "source-unit" "angstrom" } "beta" { "source-value" 125.04240126 "source-unit" "degree" } }