{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.089788 0.5 0.723554 ] [ 0.702112 0 0.885007 ] [ 0.297888 0 0.114993 ] [ 0.910212 0.5 0.276446 ] [ 0.43383 0.245268 0.195058 ] [ 0.768229 0.5 0.083973 ] [ 0.81805 0.264932 0.407632 ] [ 0.43383 0.754732 0.195058 ] [ 0.885019 0 0.74457 ] [ 0.231771 0.5 0.916027 ] [ 0.81805 0.735068 0.407632 ] [ 0.18195 0.264932 0.592368 ] [ 0.114981 0 0.25543 ] [ 0.18195 0.735068 0.592368 ] [ 0.56617 0.245268 0.804942 ] [ 0.56617 0.754732 0.804942 ] ] } "species" { "source-value" [ "Sr" "Fe" "Fe" "Se" "Se" "Se" "Se" "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" 7.23799898728 "source-unit" "angstrom" } "b" { "source-value" 5.46158879 "source-unit" "angstrom" } "c" { "source-value" 7.32742520588 "source-unit" "angstrom" } "beta" { "source-value" 91.8372921174 "source-unit" "degree" } }