{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.348837 0.151163 0.5 ] [ 0.848837 0.348837 0.5 ] [ 0.151163 0.348837 0 ] [ 0.651163 0.151163 0 ] [ 0.848837 0.651163 0 ] [ 0.348837 0.848837 0 ] [ 0.651163 0.848837 0.5 ] [ 0.151163 0.651163 0.5 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.85400242408 "source-unit" "angstrom" } "c" { "source-value" 5.22191902631 "source-unit" "angstrom" } }