{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.856754 0 0.85468 ] [ 0.780308 0.5 0.2782 ] [ 0.92494 0.5 0.432166 ] [ 0.356754 0.5 0.85468 ] [ 0.280308 0 0.2782 ] [ 0.42494 0 0.432166 ] [ 0.004151 0 0.949025 ] [ 0.072521 0.5 0.571844 ] [ 0.218177 0.5 0.707435 ] [ 0.142314 0 0.194987 ] [ 0.504151 0.5 0.949025 ] [ 0.572521 0 0.571844 ] [ 0.718177 0 0.707435 ] [ 0.642314 0.5 0.194987 ] [ 0.202285 0 0.960518 ] [ 0.085719 0 0.835057 ] [ 0.926372 0 0.671752 ] [ 0.857199 0.5 0.611031 ] [ 0.001712 0.5 0.7337 ] [ 0.787734 0 0.533627 ] [ 0.054892 0 0.313106 ] [ 0.21703 0 0.467898 ] [ 0.140566 0.5 0.408815 ] [ 0.784637 0 0.029795 ] [ 0.859448 0.5 0.112756 ] [ 0.940376 0 0.190753 ] [ 0.702285 0.5 0.960518 ] [ 0.585719 0.5 0.835057 ] [ 0.426372 0.5 0.671752 ] [ 0.357199 0 0.611031 ] [ 0.501712 0 0.7337 ] [ 0.287734 0.5 0.533627 ] [ 0.554892 0.5 0.313106 ] [ 0.71703 0.5 0.467898 ] [ 0.640566 0 0.408815 ] [ 0.284637 0.5 0.029795 ] [ 0.359448 0 0.112756 ] [ 0.440376 0.5 0.190753 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 27.62703249 "source-unit" "angstrom" } "b" { "source-value" 3.75906794 "source-unit" "angstrom" } "c" { "source-value" 5.49971262 "source-unit" "angstrom" } "beta" { "source-value" 101.29229432 "source-unit" "degree" } }