{ "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" [ [ 0.834505 0.665495 0.5 ] [ 0.334505 0.834505 0.5 ] [ 0.665495 0.165495 0.5 ] [ 0.165495 0.334505 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.861935 0.361935 0 ] [ 0.361935 0.138065 0 ] [ 0.638065 0.861935 0 ] [ 0.138065 0.638065 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cd" "Cd" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8192479 "source-unit" "angstrom" } "c" { "source-value" 3.89912452 "source-unit" "angstrom" } }