{ "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 0.235808 ] [ 0 0.5 0.764192 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.194556 0 0.284316 ] [ 0.5 0.305444 0.284316 ] [ 0 0.5 0.215144 ] [ 0.5 0 0.784856 ] [ 0.5 0.694556 0.284316 ] [ 0.805444 0 0.284316 ] [ 0.694556 0.5 0.715684 ] [ 0 0.805444 0.715684 ] [ 0 0.194556 0.715684 ] [ 0.305444 0.5 0.715684 ] ] } "species" { "source-value" [ "Ta" "Ta" "P" "P" "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" 6.5152451 "source-unit" "angstrom" } "c" { "source-value" 4.04985942 "source-unit" "angstrom" } }