{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.585933 ] [ 0 0 0.552913 ] [ 0.5 0 0.000147 ] [ 0 0.5 0.000147 ] [ 0.742853 0.742853 0.72717 ] [ 0.257147 0.742853 0.72717 ] [ 0 0 0.170802 ] [ 0.5 0.5 0.228377 ] [ 0.257147 0.257147 0.72717 ] [ 0.742853 0.257147 0.72717 ] ] } "species" { "source-value" [ "Ti" "Zn" "Bi" "Bi" "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" 5.30076057 "source-unit" "angstrom" } "c" { "source-value" 4.99544504 "source-unit" "angstrom" } }