{ "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 0.24072 ] [ 0 0.5 0.75928 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.257344 ] [ 0.5 0 0.742656 ] [ 0 0.5 0.034437 ] [ 0.770005 0.270005 0.328523 ] [ 0.229995 0.270005 0.328523 ] [ 0.770005 0.729995 0.328523 ] [ 0.229995 0.729995 0.328523 ] [ 0.270005 0.770005 0.671477 ] [ 0.729995 0.770005 0.671477 ] [ 0.270005 0.229995 0.671477 ] [ 0.729995 0.229995 0.671477 ] [ 0.5 0 0.965563 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Nd" "Nd" "Ta" "Ta" "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" 5.79220992 "source-unit" "angstrom" } "c" { "source-value" 8.33772316 "source-unit" "angstrom" } }