{ "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 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.333333 0.666667 0.213947 ] [ 0.666667 0.333333 0.786053 ] [ 0.110225 0.889775 0.298764 ] [ 0.889775 0.110225 0.701236 ] [ 0.110225 0.220451 0.298764 ] [ 0.889775 0.779549 0.701236 ] [ 0.220451 0.110225 0.701236 ] [ 0.779549 0.889775 0.298764 ] ] } "species" { "source-value" [ "Si" "Hg" "Hg" "Hg" "S" "S" "F" "F" "F" "F" "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" 7.40494285463 "source-unit" "angstrom" } "c" { "source-value" 4.90984956 "source-unit" "angstrom" } }