{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.649668 0.25 0.463304 ] [ 0.334511 0.25 0.157084 ] [ 0.981567 0.75 0.381705 ] [ 0.350332 0.75 0.536696 ] [ 0.698224 0.75 0.072708 ] [ 0.134435 0.75 0.109082 ] [ 0.443236 0.25 0.636569 ] [ 0.251026 0.75 0.82993 ] [ 0.301776 0.25 0.927292 ] [ 0.107948 0.25 0.326587 ] [ 0.018433 0.25 0.618295 ] [ 0.556764 0.75 0.363431 ] [ 0.748974 0.25 0.17007 ] [ 0.665489 0.75 0.842916 ] [ 0.865565 0.25 0.890918 ] [ 0.892052 0.75 0.673413 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01329121554 "source-unit" "angstrom" } "b" { "source-value" 4.55493361 "source-unit" "angstrom" } "c" { "source-value" 10.9522971397 "source-unit" "angstrom" } "beta" { "source-value" 101.929457272 "source-unit" "degree" } }