{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.839154 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.160846 ] [ 0.333333 0.666667 0.33118 ] [ 0.666667 0.333333 0.66882 ] [ 0.333333 0.666667 0.590654 ] [ 0 0 0.745744 ] [ 0 0 0.254256 ] [ 0.666667 0.333333 0.409346 ] [ 0.333333 0.666667 0.080774 ] [ 0.666667 0.333333 0.919226 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.99000832 "source-unit" "angstrom" } "c" { "source-value" 14.41583459 "source-unit" "angstrom" } }