{ "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" [ [ 0.992242 0.966783 0.749745 ] [ 0.507758 0.466783 0.750255 ] [ 0.492242 0.533217 0.249745 ] [ 0.007758 0.033217 0.250255 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.576767 0.979167 0.263043 ] [ 0.923233 0.479167 0.236957 ] [ 0.423233 0.020833 0.736957 ] [ 0.076767 0.520833 0.763043 ] [ 0.299594 0.273417 0.457819 ] [ 0.200406 0.773417 0.042181 ] [ 0.700406 0.726583 0.542181 ] [ 0.799594 0.226583 0.957819 ] [ 0.727346 0.702556 0.960805 ] [ 0.772654 0.202556 0.539195 ] [ 0.272654 0.297444 0.039195 ] [ 0.227346 0.797444 0.460805 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Tm" "Tm" "Ta" "Ta" "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" 5.82650051466 "source-unit" "angstrom" } "b" { "source-value" 5.89135936 "source-unit" "angstrom" } "c" { "source-value" 8.26604515859 "source-unit" "angstrom" } "beta" { "source-value" 90.1669008993 "source-unit" "degree" } }