{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.881746 0.837432 0.75 ] [ 0.856305 0.527114 0.392154 ] [ 0.356305 0.972886 0.607846 ] [ 0.143695 0.472887 0.892154 ] [ 0.643695 0.027113 0.107846 ] [ 0.118254 0.162568 0.25 ] [ 0.143695 0.472887 0.607846 ] [ 0.643695 0.027113 0.392154 ] [ 0.381746 0.662568 0.25 ] [ 0.356305 0.972886 0.892154 ] [ 0.618254 0.337432 0.75 ] [ 0.856305 0.527114 0.107846 ] [ 0.644152 0.625682 0.89882 ] [ 0.855848 0.125682 0.60118 ] [ 0.144152 0.874318 0.10118 ] [ 0.144152 0.874318 0.39882 ] [ 0.644152 0.625682 0.60118 ] [ 0.855848 0.125682 0.89882 ] [ 0.355848 0.374318 0.10118 ] [ 0.355848 0.374318 0.39882 ] [ 0.595116 0.337078 0.963657 ] [ 0.095116 0.162922 0.463657 ] [ 0.095116 0.162922 0.036343 ] [ 0.418795 0.688701 0.75 ] [ 0.904884 0.837078 0.963657 ] [ 0.581205 0.311299 0.25 ] [ 0.904884 0.837078 0.536343 ] [ 0.918795 0.811299 0.25 ] [ 0.595116 0.337078 0.536343 ] [ 0.404884 0.662922 0.463657 ] [ 0.081205 0.188701 0.75 ] [ 0.404884 0.662922 0.036343 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65599715 "source-unit" "angstrom" } "b" { "source-value" 7.72691813 "source-unit" "angstrom" } "c" { "source-value" 14.88003376 "source-unit" "angstrom" } }