{ "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 0 0.800835 ] [ 0.5 0.5 0.300835 ] [ 0.5 0.5 0.769758 ] [ 0 0 0.269758 ] [ 0.5 0 0.000319 ] [ 0 0.5 0.000319 ] [ 0 0.5 0.500319 ] [ 0.5 0 0.500319 ] [ 0 0 0.076016 ] [ 0.5 0.5 0.119138 ] [ 0.751204 0.751204 0.861904 ] [ 0.248796 0.751204 0.861904 ] [ 0.248796 0.248796 0.861904 ] [ 0.751204 0.248796 0.861904 ] [ 0.5 0.5 0.576016 ] [ 0 0 0.619138 ] [ 0.251204 0.251204 0.361904 ] [ 0.748796 0.251204 0.361904 ] [ 0.748796 0.748796 0.361904 ] [ 0.251204 0.748796 0.361904 ] ] } "species" { "source-value" [ "Ti" "Ti" "Zn" "Zn" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 5.31765534 "source-unit" "angstrom" } "c" { "source-value" 9.82500708 "source-unit" "angstrom" } }