{ "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 0.805572 ] [ 0.666667 0.333333 0.138905 ] [ 0.333333 0.666667 0.472239 ] [ 0 0 0.194428 ] [ 0.666667 0.333333 0.527761 ] [ 0.333333 0.666667 0.861095 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.631368 ] [ 0.666667 0.333333 0.964701 ] [ 0.333333 0.666667 0.298034 ] [ 0 0 0.368632 ] [ 0.666667 0.333333 0.701966 ] [ 0.333333 0.666667 0.035299 ] [ 0.839542 0.679084 0.408056 ] [ 0.506209 0.012417 0.741389 ] [ 0.172875 0.345751 0.074722 ] [ 0.160458 0.320916 0.591944 ] [ 0.827125 0.654249 0.925278 ] [ 0.493791 0.987583 0.258611 ] [ 0.160458 0.839542 0.591944 ] [ 0.827125 0.172875 0.925278 ] [ 0.493791 0.506209 0.258611 ] [ 0.839542 0.160458 0.408056 ] [ 0.506209 0.493791 0.741389 ] [ 0.172875 0.827125 0.074722 ] [ 0.320916 0.160458 0.408056 ] [ 0.987583 0.493791 0.741389 ] [ 0.654249 0.827125 0.074722 ] [ 0.679084 0.839542 0.591944 ] [ 0.345751 0.172875 0.925278 ] [ 0.012417 0.506209 0.258611 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Co" "Co" "Co" "Se" "Se" "Se" "Se" "Se" "Se" "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" 5.60430579993 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }