{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.860222 0.139778 0.18527 ] [ 0.139778 0.139778 0.81473 ] [ 0.860222 0.860222 0.81473 ] [ 0.139778 0.860222 0.18527 ] [ 0.787972 0.212028 0.01926 ] [ 0.212028 0.212028 0.98074 ] [ 0.787972 0.787972 0.98074 ] [ 0.212028 0.787972 0.01926 ] [ 0.360222 0.639778 0.68527 ] [ 0.639778 0.639778 0.31473 ] [ 0.360222 0.360222 0.31473 ] [ 0.639778 0.360222 0.68527 ] [ 0.287972 0.712028 0.51926 ] [ 0.712028 0.712028 0.48074 ] [ 0.287972 0.287972 0.48074 ] [ 0.712028 0.287972 0.51926 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "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" 6.90295477795 "source-unit" "angstrom" } "c" { "source-value" 8.07626232016 "source-unit" "angstrom" } }