{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.925336 0 0.198516 ] [ 0.074664 0 0.801484 ] [ 0.812605 0.5 0.73797 ] [ 0.187395 0.5 0.26203 ] [ 0.425336 0.5 0.198516 ] [ 0.574664 0.5 0.801484 ] [ 0.312605 0 0.73797 ] [ 0.687395 0 0.26203 ] [ 0.588861 0 0.568173 ] [ 0.411139 0 0.431827 ] [ 0.088861 0.5 0.568173 ] [ 0.911139 0.5 0.431827 ] [ 0.708404 0 0.813492 ] [ 0.291596 0 0.186508 ] [ 0 0 0 ] [ 0.120354 0.5 0.439524 ] [ 0.879646 0.5 0.560476 ] [ 0.208404 0.5 0.813492 ] [ 0.791596 0.5 0.186508 ] [ 0.5 0.5 0 ] [ 0.620354 0 0.439524 ] [ 0.379646 0 0.560476 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.7984156516 "source-unit" "angstrom" } "b" { "source-value" 3.5465318583 "source-unit" "angstrom" } "c" { "source-value" 8.9197510158 "source-unit" "angstrom" } "beta" { "source-value" 137.224565001 "source-unit" "degree" } }