{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.972941 ] [ 0.333333 0.666667 0.027059 ] [ 0.333333 0.666667 0.306274 ] [ 0 0 0.360392 ] [ 0 0 0.639608 ] [ 0.666667 0.333333 0.693726 ] [ 0 0 0.839577 ] [ 0 0 0.160423 ] [ 0.666667 0.333333 0.172911 ] [ 0.666667 0.333333 0.493756 ] [ 0.333333 0.666667 0.506244 ] [ 0.333333 0.666667 0.827089 ] [ 0.047299 0.697382 0.910192 ] [ 0.650083 0.952701 0.910192 ] [ 0.302618 0.349917 0.910192 ] [ 0.697382 0.650083 0.089808 ] [ 0.349917 0.047299 0.089808 ] [ 0.952701 0.302618 0.089808 ] [ 0.713965 0.030715 0.243525 ] [ 0.316749 0.286035 0.243525 ] [ 0.969285 0.683251 0.243525 ] [ 0.364048 0.983416 0.423142 ] [ 0.016584 0.380632 0.423142 ] [ 0.619368 0.635952 0.423142 ] [ 0.380632 0.364048 0.576858 ] [ 0.983416 0.619368 0.576858 ] [ 0.635952 0.016584 0.576858 ] [ 0.030715 0.316749 0.756475 ] [ 0.683251 0.713965 0.756475 ] [ 0.286035 0.969285 0.756475 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Co" "Co" "Co" "Co" "Co" "Co" "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" 4.92590071 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }