{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.650565 ] [ 0.666667 0.333333 0.983898 ] [ 0.333333 0.666667 0.317231 ] [ 0 0 0.849435 ] [ 0.666667 0.333333 0.182769 ] [ 0.333333 0.666667 0.516102 ] [ 0 0 0.349435 ] [ 0.666667 0.333333 0.682769 ] [ 0.333333 0.666667 0.016102 ] [ 0 0 0.150565 ] [ 0.666667 0.333333 0.483898 ] [ 0.333333 0.666667 0.817231 ] [ 0.632931 0.666667 0.416667 ] [ 0.299597 0 0.75 ] [ 0.966264 0.333333 0.083333 ] [ 0.033736 0.367069 0.416667 ] [ 0.700403 0.700403 0.75 ] [ 0.367069 0.033736 0.083333 ] [ 0.333333 0.966264 0.416667 ] [ 0 0.299597 0.75 ] [ 0.666667 0.632931 0.083333 ] [ 0.367069 0.333333 0.583333 ] [ 0.033736 0.666667 0.916667 ] [ 0.700403 0 0.25 ] [ 0.966264 0.632931 0.583333 ] [ 0.632931 0.966264 0.916667 ] [ 0.299597 0.299597 0.25 ] [ 0.666667 0.033736 0.583333 ] [ 0.333333 0.367069 0.916667 ] [ 0 0.700403 0.25 ] ] } "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "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" 5.21014963266 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }