{ "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 0.256555 ] [ 0.666667 0.333333 0.589888 ] [ 0.333333 0.666667 0.923222 ] [ 0 0 0.743445 ] [ 0.666667 0.333333 0.076778 ] [ 0.333333 0.666667 0.410112 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "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" 3.50290889564 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }