{ "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" [ [ 0.5 0.5 0.853998 ] [ 0.5 0.5 0.146002 ] [ 0 0 0.353998 ] [ 0 0 0.646002 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.829562 ] [ 0 0 0.170438 ] [ 0.5 0.5 0.329562 ] [ 0.5 0.5 0.670438 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Ir" "Ir" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.47728436 "source-unit" "angstrom" } "c" { "source-value" 12.49008317 "source-unit" "angstrom" } }