{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.997937 ] [ 0 0 0.238312 ] [ 0 0 0.761688 ] [ 0 0.5 0.002063 ] [ 0 0.5 0.497937 ] [ 0.5 0.5 0.738312 ] [ 0.5 0.5 0.261688 ] [ 0.5 0 0.502063 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Bi" "Bi" "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" 4.35058203 "source-unit" "angstrom" } "c" { "source-value" 9.34367713 "source-unit" "angstrom" } }