{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.073157 ] [ 0.333333 0.666667 0.406491 ] [ 0 0 0.739824 ] [ 0.333333 0.666667 0.924668 ] [ 0 0 0.258001 ] [ 0.666667 0.333333 0.591334 ] [ 0 0 0.989179 ] [ 0 0 0.142996 ] [ 0.666667 0.333333 0.322512 ] [ 0.666667 0.333333 0.476329 ] [ 0.333333 0.666667 0.655845 ] [ 0.333333 0.666667 0.809663 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.63715866 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }