{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.248163 0.25 ] [ 0 0.251837 0.75 ] [ 0 0.748163 0.25 ] [ 0.5 0.751837 0.75 ] [ 0.304186 0.504783 0.640183 ] [ 0.195814 0.004783 0.859817 ] [ 0.195814 0.995217 0.359817 ] [ 0.304186 0.495217 0.140183 ] [ 0.804186 0.004783 0.640183 ] [ 0.695814 0.504783 0.859817 ] [ 0.695814 0.495217 0.359817 ] [ 0.804186 0.995217 0.140183 ] [ 0.356001 0.288203 0.76098 ] [ 0.143999 0.788203 0.73902 ] [ 0.143999 0.211797 0.23902 ] [ 0.356001 0.711797 0.26098 ] [ 0.385893 0.723019 0.784657 ] [ 0.114107 0.223019 0.715343 ] [ 0.114107 0.776981 0.215343 ] [ 0.385893 0.276981 0.284657 ] [ 0.617271 0.023535 0.45186 ] [ 0.382729 0.023535 0.04814 ] [ 0.882729 0.476465 0.54814 ] [ 0.117271 0.476465 0.95186 ] [ 0.861666 0.029253 0.551796 ] [ 0.138334 0.029253 0.948204 ] [ 0.638334 0.470747 0.448204 ] [ 0.361666 0.470747 0.051796 ] [ 0.856001 0.788203 0.76098 ] [ 0.643999 0.288203 0.73902 ] [ 0.643999 0.711797 0.23902 ] [ 0.856001 0.211797 0.26098 ] [ 0.885893 0.223019 0.784657 ] [ 0.614107 0.723019 0.715343 ] [ 0.614107 0.276981 0.215343 ] [ 0.885893 0.776981 0.284657 ] [ 0.117271 0.523535 0.45186 ] [ 0.882729 0.523535 0.04814 ] [ 0.382729 0.976465 0.54814 ] [ 0.617271 0.976465 0.95186 ] [ 0.361666 0.529253 0.551796 ] [ 0.638334 0.529253 0.948204 ] [ 0.138334 0.970747 0.448204 ] [ 0.861666 0.970747 0.051796 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.6387144268 "source-unit" "angstrom" } "b" { "source-value" 8.20955220994 "source-unit" "angstrom" } "c" { "source-value" 13.9873833898 "source-unit" "angstrom" } "beta" { "source-value" 141.179549905 "source-unit" "degree" } }