{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.735086 ] [ 0.666667 0.333333 0.06842 ] [ 0.333333 0.666667 0.401753 ] [ 0 0 0.264914 ] [ 0.666667 0.333333 0.598247 ] [ 0.333333 0.666667 0.93158 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "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" 2.99804345184 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }