{ "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 ] [ 0.678818 0.839409 0.438623 ] [ 0.345485 0.172742 0.771956 ] [ 0.012151 0.506076 0.105289 ] [ 0.321182 0.160591 0.561377 ] [ 0.987849 0.493924 0.894711 ] [ 0.654515 0.827258 0.228044 ] [ 0.160591 0.321182 0.438623 ] [ 0.827258 0.654515 0.771956 ] [ 0.493924 0.987849 0.105289 ] [ 0.839409 0.678818 0.561377 ] [ 0.506076 0.012151 0.894711 ] [ 0.172742 0.345485 0.228044 ] [ 0.160591 0.839409 0.438623 ] [ 0.827258 0.172742 0.771956 ] [ 0.493924 0.506076 0.105289 ] [ 0.839409 0.160591 0.561377 ] [ 0.506076 0.493924 0.894711 ] [ 0.172742 0.827258 0.228044 ] [ 0 0 0.873206 ] [ 0.666667 0.333333 0.20654 ] [ 0.333333 0.666667 0.539873 ] [ 0 0 0.668459 ] [ 0.666667 0.333333 0.001792 ] [ 0.333333 0.666667 0.335125 ] [ 0 0 0.126794 ] [ 0.666667 0.333333 0.460127 ] [ 0.333333 0.666667 0.79346 ] [ 0 0 0.331541 ] [ 0.666667 0.333333 0.664875 ] [ 0.333333 0.666667 0.998208 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02126959075 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }