{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.111322 ] [ 0.333333 0.666667 0.944655 ] [ 0.333333 0.666667 0.444655 ] [ 0 0 0.277988 ] [ 0 0 0.777988 ] [ 0.666667 0.333333 0.611322 ] [ 0 0 0.992126 ] [ 0.333333 0.666667 0.158792 ] [ 0.666667 0.333333 0.325459 ] [ 0 0 0.492126 ] [ 0.333333 0.666667 0.658792 ] [ 0.666667 0.333333 0.825459 ] [ 0.040996 0.742117 0.883825 ] [ 0.374329 0.965546 0.050492 ] [ 0.591217 0.625671 0.050492 ] [ 0.701121 0.959004 0.883825 ] [ 0.257883 0.298879 0.883825 ] [ 0.034454 0.408783 0.050492 ] [ 0.707663 0.07545 0.217159 ] [ 0.040996 0.298879 0.383825 ] [ 0.257883 0.959004 0.383825 ] [ 0.367787 0.292337 0.217159 ] [ 0.92455 0.632213 0.217159 ] [ 0.701121 0.742117 0.383825 ] [ 0.374329 0.408783 0.550492 ] [ 0.707663 0.632213 0.717159 ] [ 0.92455 0.292337 0.717159 ] [ 0.034454 0.625671 0.550492 ] [ 0.591217 0.965546 0.550492 ] [ 0.367787 0.07545 0.717159 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.96712774 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }