{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.51193 0.48807 0.493129 ] [ 0.02386 0.51193 0.993129 ] [ 0.48807 0.97614 0.993129 ] [ 0.51193 0.02386 0.493129 ] [ 0.97614 0.48807 0.493129 ] [ 0.48807 0.51193 0.993129 ] [ 0 0 0.482647 ] [ 0 0 0.982647 ] [ 0.833567 0.166433 0.748246 ] [ 0.667135 0.833567 0.248246 ] [ 0.166433 0.332865 0.248246 ] [ 0.833567 0.667135 0.748246 ] [ 0.332865 0.166433 0.748246 ] [ 0.166433 0.833567 0.248246 ] [ 0.666667 0.333333 0.22023 ] [ 0.333333 0.666667 0.72023 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.77763457064 "source-unit" "angstrom" } "c" { "source-value" 5.67835306 "source-unit" "angstrom" } }