{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.808694 ] [ 0.5 0.5 0.191306 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.155244 ] [ 0.5 0 0.155244 ] [ 0.5 0.5 0.343972 ] [ 0.5 0 0.844756 ] [ 0 0.5 0.844756 ] [ 0.5 0.5 0.656028 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "La" "Nb" "Nb" "Cu" "Br" "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" 3.94674535 "source-unit" "angstrom" } "c" { "source-value" 11.81499768 "source-unit" "angstrom" } }