{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.880946 ] [ 0 0 0.119054 ] [ 0.5 0.5 0.380946 ] [ 0.5 0.5 0.619054 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0.179646 ] [ 0.5 0 0 ] [ 0.5 0.5 0.820354 ] [ 0.5 0 0.5 ] [ 0 0 0.679646 ] [ 0 0.5 0.5 ] [ 0 0 0.320354 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68218621646 "source-unit" "angstrom" } "c" { "source-value" 24.2606415559 "source-unit" "angstrom" } }