{ "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 0.745172 ] [ 0.666667 0.333333 0.078505 ] [ 0.333333 0.666667 0.411839 ] [ 0 0 0.254828 ] [ 0.666667 0.333333 0.588161 ] [ 0.333333 0.666667 0.921495 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68493400975 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }