{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R32" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.511566 0 0.5 ] [ 0.178233 0.333333 0.833333 ] [ 0.844899 0.666667 0.166667 ] [ 0.488434 0.488434 0.5 ] [ 0.155101 0.821767 0.833333 ] [ 0.821767 0.155101 0.166667 ] [ 1 0.511566 0.5 ] [ 0.666667 0.844899 0.833333 ] [ 0.333333 0.178233 0.166667 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.7454615772 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }