{ "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 0.117742 ] [ 0.666667 0.333333 0.451076 ] [ 0.333333 0.666667 0.784409 ] [ 0 0 0.882258 ] [ 0.666667 0.333333 0.215591 ] [ 0.333333 0.666667 0.548924 ] [ 0 0 0.609799 ] [ 0.666667 0.333333 0.943132 ] [ 0.333333 0.666667 0.276466 ] [ 0 0 0.390201 ] [ 0.666667 0.333333 0.723534 ] [ 0.333333 0.666667 0.056868 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.75842165837 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }