{ "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 0.607435 ] [ 0.666667 0.333333 0.940768 ] [ 0.333333 0.666667 0.274101 ] [ 0 0 0.776523 ] [ 0.666667 0.333333 0.109856 ] [ 0.333333 0.666667 0.443189 ] [ 0 0 0.022723 ] [ 0.666667 0.333333 0.356056 ] [ 0.333333 0.666667 0.68939 ] [ 0 0 0.19482 ] [ 0.666667 0.333333 0.528153 ] [ 0.333333 0.666667 0.861486 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31679884875 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }