{ "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 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.164421 ] [ 0.666667 0.333333 0.835579 ] [ 0.333333 0.666667 0.666945 ] [ 0.666667 0.333333 0.333055 ] [ 0 0 0.742356 ] [ 0.333333 0.666667 0.409644 ] [ 0 0 0.257644 ] [ 0.666667 0.333333 0.590356 ] [ 0.333333 0.666667 0.917495 ] [ 0.666667 0.333333 0.082505 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "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" 2.89805931 "source-unit" "angstrom" } "c" { "source-value" 14.2799471 "source-unit" "angstrom" } }