{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.382888 0.117112 0.882888 ] [ 0.117112 0.882888 0.382888 ] [ 0.882888 0.382888 0.117112 ] [ 0.617112 0.617112 0.617112 ] [ 0.382888 0.382888 0.382888 ] [ 0.117112 0.617112 0.882888 ] [ 0.882888 0.117112 0.617112 ] [ 0.617112 0.882888 0.117112 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.40381098 "source-unit" "angstrom" } }