{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.647438 0.25 ] [ 0 0.352562 0.75 ] [ 0.5 0.147438 0.25 ] [ 0.5 0.852562 0.75 ] [ 0 0.018426 0.25 ] [ 0 0.981574 0.75 ] [ 0.5 0.518426 0.25 ] [ 0.5 0.481574 0.75 ] [ 0.843364 0.907373 0.351823 ] [ 0.843364 0.092627 0.851823 ] [ 0.156636 0.907373 0.148177 ] [ 0.156636 0.092627 0.648177 ] [ 0.343364 0.407373 0.351823 ] [ 0.343364 0.592627 0.851823 ] [ 0.656636 0.407373 0.148177 ] [ 0.656636 0.592627 0.648177 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "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" 7.88371503 "source-unit" "angstrom" } "b" { "source-value" 9.79757392 "source-unit" "angstrom" } "c" { "source-value" 5.38747514 "source-unit" "angstrom" } "beta" { "source-value" 124.03097033 "source-unit" "degree" } }