{ "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" [ [ 0.018979 0 0.681115 ] [ 0.981021 0 0.318885 ] [ 0.113584 0 0.506064 ] [ 0.886416 0 0.493936 ] [ 0.126208 0 0.015535 ] [ 0.873792 0 0.984465 ] [ 0.200581 0 0.343136 ] [ 0.799419 0 0.656864 ] [ 0.778128 0.5 0.133249 ] [ 0.221872 0.5 0.866751 ] [ 0 0 0 ] [ 0.518979 0.5 0.681115 ] [ 0.481021 0.5 0.318885 ] [ 0.613584 0.5 0.506064 ] [ 0.386416 0.5 0.493936 ] [ 0.626208 0.5 0.015535 ] [ 0.373792 0.5 0.984465 ] [ 0.700581 0.5 0.343136 ] [ 0.299419 0.5 0.656864 ] [ 0.278128 0 0.133249 ] [ 0.721872 0 0.866751 ] [ 0.5 0.5 0 ] [ 0.047529 0.5 0.244806 ] [ 0.10037 0.5 0.745137 ] [ 0.89963 0.5 0.254863 ] [ 0.952471 0.5 0.755194 ] [ 0.780935 0 0.333353 ] [ 0.219065 0 0.666647 ] [ 0.547529 0 0.244806 ] [ 0.60037 0 0.745137 ] [ 0.39963 0 0.254863 ] [ 0.452471 0 0.755194 ] [ 0.280935 0.5 0.333353 ] [ 0.719065 0.5 0.666647 ] [ 0.953441 0.5 0.115586 ] [ 0.046559 0.5 0.884414 ] [ 0.956993 0.5 0.499649 ] [ 0.043007 0.5 0.500351 ] [ 0.204848 0.5 0.134798 ] [ 0.795152 0.5 0.865202 ] [ 0.190783 0.5 0.529557 ] [ 0.809217 0.5 0.470443 ] [ 0.150029 0 0.783595 ] [ 0.909946 0 0.767316 ] [ 0.090054 0 0.232684 ] [ 0.849971 0 0.216405 ] [ 0.453441 0 0.115586 ] [ 0.546559 0 0.884414 ] [ 0.456993 0 0.499649 ] [ 0.543007 0 0.500351 ] [ 0.704848 0 0.134798 ] [ 0.295152 0 0.865202 ] [ 0.690783 0 0.529557 ] [ 0.309217 0 0.470443 ] [ 0.650029 0.5 0.783595 ] [ 0.409946 0.5 0.767316 ] [ 0.590054 0.5 0.232684 ] [ 0.349971 0.5 0.216405 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 33.3626898576 "source-unit" "angstrom" } "b" { "source-value" 4.83053373834 "source-unit" "angstrom" } "c" { "source-value" 12.7621744913 "source-unit" "angstrom" } "beta" { "source-value" 109.923505004 "source-unit" "degree" } }