{ "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" [ [ 0.710374 0 0.516197 ] [ 0.057726 0.5 0.841878 ] [ 0.631135 0.5 0.78003 ] [ 0.289626 0 0.483803 ] [ 0.942274 0.5 0.158122 ] [ 0.368865 0.5 0.21997 ] [ 0.89852 0 0.935617 ] [ 0.10148 0 0.064383 ] [ 0.833753 0 0.770556 ] [ 0.166247 0 0.229444 ] [ 0.5 0.5 0.5 ] [ 0.648378 0 0.186021 ] [ 0 0.5 0.5 ] [ 0.351622 0 0.813979 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "C" "C" "C" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.62788316728 "source-unit" "angstrom" } "b" { "source-value" 3.67577424 "source-unit" "angstrom" } "c" { "source-value" 10.1668534766 "source-unit" "angstrom" } "beta" { "source-value" 114.425480147 "source-unit" "degree" } }