{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.118095 0.640506 ] [ 0.25 0.881905 0.359494 ] [ 0.75 0.381905 0.140506 ] [ 0.25 0.618095 0.859494 ] [ 0.25 0.356013 0.382801 ] [ 0.25 0.886316 0.982722 ] [ 0.25 0.687832 0.200639 ] [ 0.75 0.86863 0.492499 ] [ 0.75 0.63137 0.992499 ] [ 0.75 0.312168 0.799361 ] [ 0.25 0.07477 0.208111 ] [ 0.75 0.643987 0.617199 ] [ 0.75 0.57477 0.291889 ] [ 0.75 0.187832 0.299361 ] [ 0.25 0.143987 0.882801 ] [ 0.75 0.92523 0.791889 ] [ 0.25 0.36863 0.007501 ] [ 0.25 0.613684 0.482722 ] [ 0.25 0.13137 0.507501 ] [ 0.75 0.113684 0.017278 ] [ 0.75 0.856013 0.117199 ] [ 0.75 0.386316 0.517278 ] [ 0.25 0.42523 0.708111 ] [ 0.25 0.812168 0.700639 ] [ 0.25 0.382923 0.261731 ] [ 0.75 0.882923 0.238269 ] [ 0.75 0.617077 0.738269 ] [ 0.25 0.117077 0.761731 ] [ 0.75 0.160865 0.426866 ] [ 0.25 0.419833 0.584576 ] [ 0.25 0.080167 0.084576 ] [ 0.75 0.919833 0.915424 ] [ 0.25 0.839135 0.573134 ] [ 0.75 0.339135 0.926866 ] [ 0.25 0.660865 0.073134 ] [ 0.75 0.580167 0.415424 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15626253 "source-unit" "angstrom" } "b" { "source-value" 7.3297831 "source-unit" "angstrom" } "c" { "source-value" 20.76501885 "source-unit" "angstrom" } }