{ "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" [ [ 0.666667 0.333333 0.333798 ] [ 0.333333 0.666667 0.666202 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833098 ] [ 0.333333 0.666667 0.166902 ] [ 0.666667 0.333333 0.093837 ] [ 0.333333 0.666667 0.906163 ] [ 0 0 0.240003 ] [ 0 0 0.759997 ] [ 0.666667 0.333333 0.58314 ] [ 0.333333 0.666667 0.41686 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "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" 2.83203382 "source-unit" "angstrom" } "c" { "source-value" 14.10922323 "source-unit" "angstrom" } }