{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.886744 0.386744 0 ] [ 0.386744 0.113256 0 ] [ 0.613256 0.886744 0 ] [ 0.113256 0.613256 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.679242 0.179242 0.5 ] [ 0.179242 0.320758 0.5 ] [ 0.820758 0.679242 0.5 ] [ 0.320758 0.820758 0.5 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53807234 "source-unit" "angstrom" } "c" { "source-value" 3.36409219 "source-unit" "angstrom" } }