{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.108722 ] [ 0.666667 0.333333 0.442056 ] [ 0.333333 0.666667 0.775389 ] [ 0 0 0.003436 ] [ 0.666667 0.333333 0.336769 ] [ 0.333333 0.666667 0.670103 ] [ 0 0 0.622974 ] [ 0.666667 0.333333 0.956307 ] [ 0.333333 0.666667 0.289641 ] [ 0 0 0.822568 ] [ 0.666667 0.333333 0.155901 ] [ 0.333333 0.666667 0.489234 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "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" 4.09491475184 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }