{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0 0.75 0.25 ] [ 0.5 0.75 0.25 ] [ 0.25 0.5 0.75 ] [ 0.25 0 0.75 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0 0.25 0.75 ] [ 0.5 0.25 0.75 ] [ 0.75 0.5 0.25 ] [ 0.75 0 0.25 ] [ 0.25 0.75 0 ] [ 0.616504 0.616504 0.616504 ] [ 0.116504 0.383496 0.116504 ] [ 0.383496 0.116504 0.116504 ] [ 0.116504 0.116504 0.383496 ] [ 0.616504 0.883496 0.883496 ] [ 0.883496 0.883496 0.616504 ] [ 0.883496 0.616504 0.883496 ] [ 0.383496 0.383496 0.383496 ] [ 0.764161 0.40759 0.40759 ] [ 0.764161 0.09241 0.09241 ] [ 0.40759 0.40759 0.764161 ] [ 0.09241 0.40759 0.735839 ] [ 0.40759 0.764161 0.40759 ] [ 0.09241 0.735839 0.40759 ] [ 0.264161 0.90759 0.59241 ] [ 0.264161 0.59241 0.90759 ] [ 0.235839 0.90759 0.90759 ] [ 0.59241 0.90759 0.264161 ] [ 0.90759 0.235839 0.90759 ] [ 0.90759 0.264161 0.59241 ] [ 0.90759 0.59241 0.264161 ] [ 0.59241 0.264161 0.90759 ] [ 0.90759 0.90759 0.235839 ] [ 0.59241 0.59241 0.235839 ] [ 0.59241 0.235839 0.59241 ] [ 0.09241 0.764161 0.09241 ] [ 0.40759 0.735839 0.09241 ] [ 0.40759 0.09241 0.735839 ] [ 0.09241 0.09241 0.764161 ] [ 0.735839 0.09241 0.40759 ] [ 0.735839 0.40759 0.09241 ] [ 0.235839 0.59241 0.59241 ] [ 0.861579 0.861579 0.861579 ] [ 0.361579 0.138421 0.361579 ] [ 0.361579 0.361579 0.138421 ] [ 0.138421 0.361579 0.361579 ] [ 0.638421 0.638421 0.861579 ] [ 0.861579 0.638421 0.638421 ] [ 0.638421 0.861579 0.638421 ] [ 0.138421 0.138421 0.138421 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.57834852 "source-unit" "angstrom" } }