{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.822791 0 ] [ 0.5 0.836022 0.5 ] [ 0.5 0.677209 0 ] [ 0 0 0.5 ] [ 0 0.663978 0.5 ] [ 0.5 0 0 ] [ 0.5 0.322791 0 ] [ 0 0.336022 0.5 ] [ 0 0.177209 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.163978 0.5 ] [ 0 0.5 0 ] [ 0.694373 0.834711 0 ] [ 0.805627 0.665289 0 ] [ 0.305627 0.834711 0 ] [ 0.5 0.735299 0.5 ] [ 0 0.764701 0.5 ] [ 0.194373 0.665289 0 ] [ 0.812048 0 0 ] [ 0.5 0.062026 0.5 ] [ 0.5 0.937974 0.5 ] [ 0.187952 0 0 ] [ 0.194373 0.334711 0 ] [ 0.305627 0.165289 0 ] [ 0.805627 0.334711 0 ] [ 0 0.235299 0.5 ] [ 0.5 0.264701 0.5 ] [ 0.694373 0.165289 0 ] [ 0.312048 0.5 0 ] [ 0 0.562026 0.5 ] [ 0 0.437974 0.5 ] [ 0.687952 0.5 0 ] [ 0.5 0.604045 0.5 ] [ 0 0.895955 0.5 ] [ 0 0.104045 0.5 ] [ 0.5 0.395955 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.4269708 "source-unit" "angstrom" } "b" { "source-value" 20.10671292 "source-unit" "angstrom" } "c" { "source-value" 3.0180726 "source-unit" "angstrom" } }