{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nnc" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.63931 0.446213 0.610713 ] [ 0.63931 0.053787 0.889287 ] [ 0.36069 0.946213 0.110713 ] [ 0.86069 0.446213 0.889287 ] [ 0.36069 0.553787 0.389287 ] [ 0.053787 0.63931 0.610713 ] [ 0.553787 0.36069 0.110713 ] [ 0.446213 0.86069 0.610713 ] [ 0.13931 0.946213 0.389287 ] [ 0.946213 0.13931 0.110713 ] [ 0.86069 0.053787 0.610713 ] [ 0.053787 0.86069 0.889287 ] [ 0.446213 0.63931 0.889287 ] [ 0.13931 0.553787 0.110713 ] [ 0.553787 0.13931 0.389287 ] [ 0.946213 0.36069 0.389287 ] ] } "species" { "source-value" [ "Nd" "Nd" "Tl" "Tl" "Mo" "Mo" "Mo" "Mo" "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" 6.41116132 "source-unit" "angstrom" } "c" { "source-value" 9.70717574 "source-unit" "angstrom" } }