{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.754417 ] [ 0.5 0.5 0.245583 ] [ 0 0 0.254417 ] [ 0 0 0.745583 ] [ 0 0.5 0.856224 ] [ 0.5 0 0.143776 ] [ 0.5 0 0.856224 ] [ 0 0.5 0.143776 ] [ 0.5 0.5 0 ] [ 0.5 0 0.356224 ] [ 0 0.5 0.643776 ] [ 0 0.5 0.356224 ] [ 0.5 0 0.643776 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "U" "U" "Al" "Al" "Al" "Al" "Pd" "Pd" "Pd" "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" 4.19317711551 "source-unit" "angstrom" } "c" { "source-value" 14.884370854 "source-unit" "angstrom" } }