{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0.385582 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0 0.114418 ] [ 0.25 0 0.885582 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.5 0.614418 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.25 0.24241 0.017805 ] [ 0.75 0.25759 0.517805 ] [ 0.014848 0.5 0.257838 ] [ 0.485152 0.5 0.257838 ] [ 0.014848 0 0.242162 ] [ 0.485152 0 0.242162 ] [ 0.75 0.24241 0.982195 ] [ 0.25 0.25759 0.482195 ] [ 0.75 0.74241 0.517805 ] [ 0.25 0.75759 0.017805 ] [ 0.514848 0 0.757838 ] [ 0.985152 0 0.757838 ] [ 0.514848 0.5 0.742162 ] [ 0.985152 0.5 0.742162 ] [ 0.25 0.74241 0.482195 ] [ 0.75 0.75759 0.982195 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 5.71695456519 "source-unit" "angstrom" } "b" { "source-value" 5.88179613553 "source-unit" "angstrom" } "c" { "source-value" 8.25445796105 "source-unit" "angstrom" } }