{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.748346 ] [ 0 0.5 0.748346 ] [ 0 0.5 0.248346 ] [ 0.5 0 0.248346 ] [ 0 0 0.980998 ] [ 0.5 0.5 0.480998 ] [ 0 0 0.513067 ] [ 0.5 0.5 0.013067 ] [ 0 0 0.78117 ] [ 0.5 0.5 0.28117 ] [ 0.214856 0.214856 0.004619 ] [ 0.214856 0.785144 0.004619 ] [ 0.785144 0.214856 0.004619 ] [ 0.785144 0.785144 0.004619 ] [ 0 0 0.209598 ] [ 0.714856 0.714856 0.504619 ] [ 0.714856 0.285144 0.504619 ] [ 0.285144 0.714856 0.504619 ] [ 0.285144 0.285144 0.504619 ] [ 0.5 0.5 0.709598 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Zr" "Zr" "Tl" "Tl" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.85893155947 "source-unit" "angstrom" } "c" { "source-value" 9.58847170144 "source-unit" "angstrom" } }