{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.894907 0.716211 0.5 ] [ 0.716211 0.105093 0.5 ] [ 0.283789 0.894907 0.5 ] [ 0.105093 0.283789 0.5 ] [ 0.394907 0.216211 0 ] [ 0.216211 0.605093 0 ] [ 0.783789 0.394907 0 ] [ 0.605093 0.783789 0 ] [ 0 0 0.5 ] [ 0.692816 0.091587 0 ] [ 0.091587 0.307184 0 ] [ 0.908413 0.692816 0 ] [ 0.307184 0.908413 0 ] [ 0.5 0.5 0 ] [ 0.192816 0.591587 0.5 ] [ 0.591587 0.807184 0.5 ] [ 0.408413 0.192816 0.5 ] [ 0.807184 0.408413 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.89849216 "source-unit" "angstrom" } "c" { "source-value" 4.29446492 "source-unit" "angstrom" } }