{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.155662 0.655662 0.135792 ] [ 0.344338 0.155662 0.135792 ] [ 0.655662 0.844338 0.135792 ] [ 0.655662 0.844338 0.864208 ] [ 0.344338 0.155662 0.864208 ] [ 0.155662 0.655662 0.864208 ] [ 0.844338 0.344338 0.864208 ] [ 0.844338 0.344338 0.135792 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.655662 0.155662 0.635792 ] [ 0.844338 0.655662 0.635792 ] [ 0.155662 0.344338 0.635792 ] [ 0.155662 0.344338 0.364208 ] [ 0.844338 0.655662 0.364208 ] [ 0.655662 0.155662 0.364208 ] [ 0.344338 0.844338 0.364208 ] [ 0.344338 0.844338 0.635792 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.360803 0.860803 0 ] [ 0.139197 0.360803 0 ] [ 0.860803 0.639197 0 ] [ 0.639197 0.139197 0 ] [ 0.860803 0.360803 0.5 ] [ 0.639197 0.860803 0.5 ] [ 0.360803 0.139197 0.5 ] [ 0.139197 0.639197 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Bi" "Bi" "Bi" "Bi" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.78365359128 "source-unit" "angstrom" } "c" { "source-value" 13.6040507824 "source-unit" "angstrom" } }