{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.256952 ] [ 0.666667 0.333333 0.743048 ] [ 0.342849 0.342849 0 ] [ 0.645556 0.645556 0.5 ] [ 0.354444 0 0.5 ] [ 0.657151 0 0 ] [ 0 0.657151 0 ] [ 0 0.354444 0.5 ] ] } "species" { "source-value" [ "Li" "Ag" "Ag" "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" 5.4743975 "source-unit" "angstrom" } "c" { "source-value" 4.81775358 "source-unit" "angstrom" } }