{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.820595 0.806653 0.912704 ] [ 0.000844 0.355429 0.738594 ] [ 0.999156 0.355429 0.261406 ] [ 0.679405 0.306653 0.087296 ] [ 0.320595 0.306653 0.912704 ] [ 0.500844 0.855429 0.738594 ] [ 0.499156 0.855429 0.261406 ] [ 0.179405 0.806653 0.087296 ] [ 0.839853 0.846668 0.425629 ] [ 0.660147 0.346668 0.574371 ] [ 0.339853 0.346668 0.425629 ] [ 0.160147 0.846668 0.574371 ] [ 0 0.582576 0 ] [ 0.828525 0.603788 0.197333 ] [ 0.817817 0.567598 0.641362 ] [ 0 0.612114 0.5 ] [ 0.852387 0.056519 0.675129 ] [ 0 0.077205 0.5 ] [ 0.65577 0.585728 0.83935 ] [ 0.647613 0.556519 0.324871 ] [ 0.84423 0.085728 0.16065 ] [ 0.671475 0.103788 0.802667 ] [ 0.682183 0.067598 0.358638 ] [ 0.5 0.082576 0 ] [ 0.328525 0.103788 0.197333 ] [ 0.317817 0.067598 0.641362 ] [ 0.5 0.112114 0.5 ] [ 0.352387 0.556519 0.675129 ] [ 0.5 0.577205 0.5 ] [ 0.15577 0.085728 0.83935 ] [ 0.147613 0.056519 0.324871 ] [ 0.34423 0.585728 0.16065 ] [ 0.171475 0.603788 0.802667 ] [ 0.182183 0.567598 0.358638 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "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" 12.42181618 "source-unit" "angstrom" } "b" { "source-value" 5.4937632 "source-unit" "angstrom" } "c" { "source-value" 7.59996335 "source-unit" "angstrom" } "beta" { "source-value" 107.60613968 "source-unit" "degree" } }