{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.834868 0.665132 0.5 ] [ 0.334868 0.834868 0.5 ] [ 0.165132 0.334868 0.5 ] [ 0.665132 0.165132 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.131472 0.631472 0 ] [ 0.631472 0.868528 0 ] [ 0.368528 0.131472 0 ] [ 0.868528 0.368528 0 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.91002996 "source-unit" "angstrom" } "c" { "source-value" 3.96115536 "source-unit" "angstrom" } }