{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.941406 ] [ 0.333333 0.666667 0.108073 ] [ 0.666667 0.333333 0.274739 ] [ 0 0 0.441406 ] [ 0.333333 0.666667 0.608073 ] [ 0.666667 0.333333 0.774739 ] [ 0.032791 0.687413 0.999719 ] [ 0.987955 0.35408 0.166386 ] [ 0.366125 0.012045 0.166386 ] [ 0.312587 0.345378 0.999719 ] [ 0.654622 0.967209 0.999719 ] [ 0.64592 0.633875 0.166386 ] [ 0.699458 0.020746 0.333052 ] [ 0.654622 0.687413 0.499719 ] [ 0.032791 0.345378 0.499719 ] [ 0.979254 0.678711 0.333052 ] [ 0.321289 0.300542 0.333052 ] [ 0.312587 0.967209 0.499719 ] [ 0.366125 0.35408 0.666386 ] [ 0.321289 0.020746 0.833052 ] [ 0.699458 0.678711 0.833052 ] [ 0.64592 0.012045 0.666386 ] [ 0.987955 0.633875 0.666386 ] [ 0.979254 0.300542 0.833052 ] [ 0.240466 0.151934 0.013135 ] [ 0.240158 0.076283 0.875049 ] [ 0.269125 0.106533 0.159827 ] [ 0.127565 0.783318 0.950965 ] [ 0.989086 0.449984 0.117631 ] [ 0.504075 0.439867 0.993161 ] [ 0.169458 0.74295 0.041715 ] [ 0.893467 0.162591 0.159827 ] [ 0.578135 0.485268 0.846468 ] [ 0.836125 0.759842 0.875049 ] [ 0.460898 0.010914 0.117631 ] [ 0.514732 0.092867 0.846468 ] [ 0.560133 0.064209 0.993161 ] [ 0.911468 0.759534 0.013135 ] [ 0.216682 0.344247 0.950965 ] [ 0.25705 0.426508 0.041715 ] [ 0.573492 0.830542 0.041715 ] [ 0.935791 0.495925 0.993161 ] [ 0.907133 0.421865 0.846468 ] [ 0.655753 0.872435 0.950965 ] [ 0.550016 0.539102 0.117631 ] [ 0.848066 0.088532 0.013135 ] [ 0.923717 0.163875 0.875049 ] [ 0.837409 0.730875 0.159827 ] [ 0.907133 0.485268 0.346468 ] [ 0.906825 0.409617 0.208382 ] [ 0.935791 0.439867 0.493161 ] [ 0.794232 0.116651 0.284298 ] [ 0.655753 0.783318 0.450965 ] [ 0.170742 0.7732 0.326494 ] [ 0.836125 0.076283 0.375049 ] [ 0.560133 0.495925 0.493161 ] [ 0.244802 0.818601 0.179802 ] [ 0.502792 0.093175 0.208382 ] [ 0.127565 0.344247 0.450965 ] [ 0.181399 0.426201 0.179802 ] [ 0.2268 0.397542 0.326494 ] [ 0.578135 0.092867 0.346468 ] [ 0.883349 0.677581 0.284298 ] [ 0.923717 0.759842 0.375049 ] [ 0.240158 0.163875 0.375049 ] [ 0.602458 0.829258 0.326494 ] [ 0.573799 0.755198 0.179802 ] [ 0.322419 0.205768 0.284298 ] [ 0.216682 0.872435 0.450965 ] [ 0.514732 0.421865 0.346468 ] [ 0.590383 0.497208 0.208382 ] [ 0.504075 0.064209 0.493161 ] [ 0.573799 0.818601 0.679802 ] [ 0.573492 0.74295 0.541715 ] [ 0.602458 0.7732 0.826494 ] [ 0.460898 0.449984 0.617631 ] [ 0.322419 0.116651 0.784298 ] [ 0.837409 0.106533 0.659827 ] [ 0.502792 0.409617 0.708382 ] [ 0.2268 0.829258 0.826494 ] [ 0.911468 0.151934 0.513135 ] [ 0.169458 0.426508 0.541715 ] [ 0.794232 0.677581 0.784298 ] [ 0.848066 0.759534 0.513135 ] [ 0.893467 0.730875 0.659827 ] [ 0.244802 0.426201 0.679802 ] [ 0.550016 0.010914 0.617631 ] [ 0.590383 0.093175 0.708382 ] [ 0.906825 0.497208 0.708382 ] [ 0.269125 0.162591 0.659827 ] [ 0.240466 0.088532 0.513135 ] [ 0.989086 0.539102 0.617631 ] [ 0.883349 0.205768 0.784298 ] [ 0.181399 0.755198 0.679802 ] [ 0.25705 0.830542 0.541715 ] [ 0.170742 0.397542 0.826494 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.52141178 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }