{ "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 0.5 0.582705 ] [ 0.5 0 0.417295 ] [ 0.5 0 0.106801 ] [ 0 0.5 0.893199 ] [ 0 0.5 0.268416 ] [ 0.5 0 0.731584 ] [ 0.5 0 0.932105 ] [ 0 0.5 0.067895 ] [ 0.5 0 0.595611 ] [ 0 0.5 0.404389 ] [ 0.5 0.5 0.230276 ] [ 0 0 0.230276 ] [ 0.5 0.5 0.769724 ] [ 0 0 0.769724 ] ] } "species" { "source-value" [ "Na" "Na" "Sm" "Sm" "Ti" "Ti" "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" 3.74322704 "source-unit" "angstrom" } "c" { "source-value" 13.01488845 "source-unit" "angstrom" } }