{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.092357 0.730885 0.132453 ] [ 0.730885 0.907643 0.867547 ] [ 0.907643 0.269115 0.132453 ] [ 0.269115 0.092357 0.867547 ] [ 0.592357 0.230885 0.632453 ] [ 0.230885 0.407643 0.367547 ] [ 0.407643 0.769115 0.632453 ] [ 0.769115 0.592357 0.367547 ] ] } "species" { "source-value" [ "Al" "Al" "P" "P" "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" 5.08324066 "source-unit" "angstrom" } "c" { "source-value" 7.45224314 "source-unit" "angstrom" } }