{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.243634 ] [ 0.5 0.5 0.743634 ] [ 0.807737 0.807737 0.438817 ] [ 0.192263 0.192263 0.438817 ] [ 0.307737 0.692263 0.938817 ] [ 0.692263 0.307737 0.938817 ] [ 0.817432 0.182568 0.064366 ] [ 0.182568 0.817432 0.064366 ] [ 0.317432 0.317432 0.564366 ] [ 0.682568 0.682568 0.564366 ] ] } "species" { "source-value" [ "Be" "Be" "C" "C" "C" "C" "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" 5.36482135 "source-unit" "angstrom" } "c" { "source-value" 5.37336555 "source-unit" "angstrom" } }