{ "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 0.814019 ] [ 0 0 0.185981 ] [ 0.5 0.5 0.314019 ] [ 0.5 0.5 0.685981 ] [ 0 0.5 0.932695 ] [ 0.5 0 0.932695 ] [ 0.5 0 0.067305 ] [ 0 0.5 0.067305 ] [ 0.5 0 0.432695 ] [ 0 0.5 0.432695 ] [ 0 0.5 0.567305 ] [ 0.5 0 0.567305 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.162274 ] [ 0.5 0.5 0.837726 ] [ 0 0 0.662274 ] [ 0 0 0.337726 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15060205342 "source-unit" "angstrom" } "c" { "source-value" 19.4639417018 "source-unit" "angstrom" } }