{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.147311 0.332055 0.970572 ] [ 0.079489 0.871223 0.835017 ] [ 0.319365 0.084118 0.740031 ] [ 0.431536 0.565155 0.879036 ] [ 0.147311 0.167945 0.470572 ] [ 0.079489 0.628777 0.335017 ] [ 0.568464 0.065155 0.620964 ] [ 0.680635 0.584118 0.759969 ] [ 0.319365 0.415882 0.240031 ] [ 0.431536 0.934845 0.379036 ] [ 0.920511 0.371223 0.664983 ] [ 0.852689 0.832055 0.529428 ] [ 0.568464 0.434845 0.120964 ] [ 0.680635 0.915882 0.259969 ] [ 0.920511 0.128777 0.164983 ] [ 0.852689 0.667945 0.029428 ] [ 0.243286 0.628506 0.627397 ] [ 0.588124 0.049837 0.959677 ] [ 0.411876 0.549837 0.540323 ] [ 0.756714 0.128506 0.872603 ] [ 0.243286 0.871494 0.127397 ] [ 0.588124 0.450163 0.459677 ] [ 0.411876 0.950163 0.040323 ] [ 0.756714 0.371494 0.372603 ] [ 0.137794 0.695608 0.696714 ] [ 0.371113 0.128495 0.929675 ] [ 0.260082 0.774735 0.527325 ] [ 0.383062 0.402087 0.642222 ] [ 0.616938 0.902087 0.857778 ] [ 0.739918 0.274735 0.972675 ] [ 0.137794 0.804392 0.196714 ] [ 0.371113 0.371505 0.429675 ] [ 0.628887 0.628495 0.570325 ] [ 0.862206 0.195608 0.803286 ] [ 0.260082 0.725265 0.027325 ] [ 0.383062 0.097913 0.142222 ] [ 0.616938 0.597913 0.357778 ] [ 0.739918 0.225265 0.472675 ] [ 0.628887 0.871505 0.070325 ] [ 0.862206 0.304392 0.303286 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "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" 9.7801414 "source-unit" "angstrom" } "b" { "source-value" 6.48934807 "source-unit" "angstrom" } "c" { "source-value" 16.20919916 "source-unit" "angstrom" } "beta" { "source-value" 118.31391992 "source-unit" "degree" } }