{ "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 0.838801 ] [ 0.333333 0.666667 0.161199 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.331289 ] [ 0.333333 0.666667 0.668711 ] [ 0.666667 0.333333 0.590629 ] [ 0.333333 0.666667 0.409371 ] [ 0 0 0.253137 ] [ 0 0 0.746863 ] [ 0.666667 0.333333 0.080956 ] [ 0.333333 0.666667 0.919044 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 2.96758869 "source-unit" "angstrom" } "c" { "source-value" 14.5012154 "source-unit" "angstrom" } }