{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.195709 0.25 ] [ 0 0.804291 0.75 ] [ 0.5 0.320584 0.75 ] [ 0.5 0.679416 0.25 ] [ 0.284277 0.404127 0.046072 ] [ 0.715723 0.404127 0.453928 ] [ 0.715723 0.595873 0.953928 ] [ 0.284277 0.595873 0.546072 ] [ 0.759609 0.888442 0.397137 ] [ 0.240391 0.888442 0.102863 ] [ 0.240391 0.111558 0.602863 ] [ 0.759609 0.111558 0.897137 ] ] } "species" { "source-value" [ "Lu" "Lu" "Ta" "Ta" "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" 5.01228115989 "source-unit" "angstrom" } "b" { "source-value" 5.75339496 "source-unit" "angstrom" } "c" { "source-value" 5.25194555994 "source-unit" "angstrom" } "beta" { "source-value" 93.3455168101 "source-unit" "degree" } }