{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.137605 0.637605 0.5 ] [ 0.637605 0.862395 0.5 ] [ 0.362395 0.137605 0.5 ] [ 0.862395 0.362395 0.5 ] [ 0.839053 0.660947 0.5 ] [ 0.339053 0.839053 0.5 ] [ 0.160947 0.339053 0.5 ] [ 0.660947 0.160947 0.5 ] ] } "species" { "source-value" [ "Sm" "Sm" "B" "B" "B" "B" "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" 5.38081994 "source-unit" "angstrom" } "c" { "source-value" 3.72633267 "source-unit" "angstrom" } }