{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.507077 ] [ 0.5 0 0.492923 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.226302 0 0.764724 ] [ 0 0.773698 0.235276 ] [ 0.773698 0 0.764724 ] [ 0.273698 0.5 0.235276 ] [ 0 0.226302 0.235276 ] [ 0.5 0.273698 0.764724 ] [ 0.726302 0.5 0.235276 ] [ 0.5 0.726302 0.764724 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "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" 7.01741837 "source-unit" "angstrom" } "c" { "source-value" 4.426551 "source-unit" "angstrom" } }