{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.758846 ] [ 0 0.5 0.241154 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.257491 ] [ 0 0.5 0.742509 ] [ 0.230842 0.730842 0.669946 ] [ 0.769158 0.269158 0.669946 ] [ 0 0.5 0.965617 ] [ 0.730842 0.769158 0.330054 ] [ 0.730842 0.230842 0.330054 ] [ 0.5 0 0.034383 ] [ 0.769158 0.730842 0.669946 ] [ 0.230842 0.269158 0.669946 ] [ 0.269158 0.769158 0.330054 ] [ 0.269158 0.230842 0.330054 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Nd" "Nd" "Nb" "Nb" "O" "O" "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" 5.78869484 "source-unit" "angstrom" } "c" { "source-value" 8.38757964 "source-unit" "angstrom" } }