{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.824985 0.303906 0.99912 ] [ 0.49912 0.675015 0.803906 ] [ 0.50088 0.324985 0.803906 ] [ 0.696094 0.00088 0.824985 ] [ 0.175015 0.303906 0.00088 ] [ 0.196094 0.50088 0.675015 ] [ 0.303906 0.99912 0.824985 ] [ 0.324985 0.196094 0.49912 ] [ 0.803906 0.49912 0.675015 ] [ 0.99912 0.175015 0.696094 ] [ 0.324985 0.803906 0.50088 ] [ 0.00088 0.824985 0.696094 ] [ 0.00088 0.175015 0.303906 ] [ 0.675015 0.196094 0.50088 ] [ 0.99912 0.824985 0.303906 ] [ 0.196094 0.49912 0.324985 ] [ 0.675015 0.803906 0.49912 ] [ 0.696094 0.99912 0.175015 ] [ 0.803906 0.50088 0.324985 ] [ 0.824985 0.696094 0.00088 ] [ 0.303906 0.00088 0.175015 ] [ 0.50088 0.675015 0.196094 ] [ 0.49912 0.324985 0.196094 ] [ 0.175015 0.696094 0.99912 ] ] } "species" { "source-value" [ "Ca" "Ca" "Nb" "Nb" "Nb" "Nb" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.5629261 "source-unit" "angstrom" } }