{ "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" [ [ 0.897568 0.5 0.792207 ] [ 0.102432 0.5 0.207793 ] [ 0.188496 0.5 0.80634 ] [ 0.811504 0.5 0.19366 ] [ 0.397568 0 0.792207 ] [ 0.602432 0 0.207793 ] [ 0.688496 0 0.80634 ] [ 0.311504 0 0.19366 ] [ 0.241416 0 0.852297 ] [ 0.758584 0 0.147703 ] [ 0.054057 0.5 0.862603 ] [ 0.945943 0.5 0.137397 ] [ 0.741416 0.5 0.852297 ] [ 0.258584 0.5 0.147703 ] [ 0.554057 0 0.862603 ] [ 0.445943 0 0.137397 ] [ 0.859874 0.5 0.492893 ] [ 0.140126 0.5 0.507107 ] [ 0.134107 0 0.210555 ] [ 0.865893 0 0.789445 ] [ 0.359874 0 0.492893 ] [ 0.640126 0 0.507107 ] [ 0.634107 0.5 0.210555 ] [ 0.365893 0.5 0.789445 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.1797581357 "source-unit" "angstrom" } "b" { "source-value" 3.89140264321 "source-unit" "angstrom" } "c" { "source-value" 6.76544920906 "source-unit" "angstrom" } "beta" { "source-value" 107.657836104 "source-unit" "degree" } }