{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.292506 0 0 ] [ 0.707494 0 0 ] [ 0 0 0.292506 ] [ 0 0 0.707494 ] [ 0 0.707494 0 ] [ 0 0.292506 0 ] [ 0.792506 0.5 0.5 ] [ 0.207494 0.5 0.5 ] [ 0.5 0.5 0.792506 ] [ 0.5 0.5 0.207494 ] [ 0.5 0.207494 0.5 ] [ 0.5 0.792506 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.664719 0.335281 0 ] [ 0.5 0.835281 0.835281 ] [ 0.835281 0.5 0.835281 ] [ 0.335281 0 0.664719 ] [ 0.664719 0 0.335281 ] [ 0.835281 0.835281 0.5 ] [ 0.5 0.164719 0.164719 ] [ 0.164719 0.164719 0.5 ] [ 0.164719 0.5 0.164719 ] [ 0 0.335281 0.664719 ] [ 0.335281 0.664719 0 ] [ 0 0.664719 0.335281 ] [ 0.164719 0.835281 0.5 ] [ 0 0.335281 0.335281 ] [ 0.335281 0 0.335281 ] [ 0.835281 0.5 0.164719 ] [ 0.164719 0.5 0.835281 ] [ 0.335281 0.335281 0 ] [ 0 0.664719 0.664719 ] [ 0.664719 0.664719 0 ] [ 0.664719 0 0.664719 ] [ 0.5 0.835281 0.164719 ] [ 0.835281 0.164719 0.5 ] [ 0.5 0.164719 0.835281 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.85736927532 "source-unit" "angstrom" } }