{ "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 0 0 ] [ 0 0 0.5 ] [ 0.426926 0.5 0.752041 ] [ 0.573074 0.5 0.247959 ] [ 0.817941 0.5 0.095253 ] [ 0.712418 0 0.355047 ] [ 0.287582 0 0.644953 ] [ 0.182059 0.5 0.904747 ] [ 0.801513 0.5 0.597261 ] [ 0.676478 0 0.838407 ] [ 0.323522 0 0.161593 ] [ 0.198487 0.5 0.402739 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 4.79254245 "source-unit" "angstrom" } "b" { "source-value" 3.07269222 "source-unit" "angstrom" } "c" { "source-value" 9.5829929 "source-unit" "angstrom" } "beta" { "source-value" 91.36441291 "source-unit" "degree" } }