{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.879646 0 0.383091 ] [ 0.5 0 0.5 ] [ 0.120354 0 0.616909 ] [ 0.379646 0.5 0.383091 ] [ 0 0.5 0.5 ] [ 0.620354 0.5 0.616909 ] ] } "species" { "source-value" [ "Na" "Na" "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" 7.88649845835 "source-unit" "angstrom" } "b" { "source-value" 4.12249121717 "source-unit" "angstrom" } "c" { "source-value" 5.7593186806 "source-unit" "angstrom" } "beta" { "source-value" 142.912704084 "source-unit" "degree" } }