{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.001395 ] [ 0.5 0.5 0.71431 ] [ 0.5 0 0.360955 ] [ 0.5 0 0.073837 ] [ 0 0.5 0.360955 ] [ 0 0 0.431599 ] [ 0 0.5 0.073837 ] [ 0 0.5 0.218379 ] [ 0.5 0 0.642994 ] [ 0 0.5 0.785775 ] [ 0.5 0 0.501723 ] [ 0 0.5 0.929406 ] [ 0.5 0 0.929406 ] [ 0 0 0.290339 ] [ 0 0.5 0.642994 ] [ 0.5 0 0.785775 ] [ 0.5 0.5 0.857198 ] [ 0 0 0.146145 ] [ 0 0.5 0.501723 ] [ 0.5 0 0.218379 ] [ 0.5 0.5 0.571986 ] [ 0 0 0.572135 ] [ 0 0 0.857655 ] [ 0.5 0.5 0.289883 ] [ 0.5 0.5 0.146098 ] [ 0.5 0.5 0.431643 ] [ 0 0 0.001665 ] [ 0 0 0.714111 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72124693 "source-unit" "angstrom" } "c" { "source-value" 25.86954388 "source-unit" "angstrom" } }