{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.155153 0.155153 0.844847 ] [ 0.155153 0.844847 0.155153 ] [ 0.844847 0.155153 0.155153 ] [ 0.844847 0.844847 0.844847 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "N" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.87711457 "source-unit" "angstrom" } }