{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_422" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.666667 ] [ 0 0 0 ] [ 0 0 0.333333 ] [ 0.5 0 0.791343 ] [ 0.5 0.5 0.875324 ] [ 0.5 0.5 0.45801 ] [ 0 0.5 0.833333 ] [ 0 0.5 0.124676 ] [ 0.5 0.5 0.166667 ] [ 0.5 0 0.208657 ] [ 0 0.5 0.54199 ] [ 0.5 0 0.5 ] [ 0.611594 0.223187 0 ] [ 0.776813 0.388406 0.333333 ] [ 0.223187 0.611594 0.333333 ] [ 0.611594 0.388406 0.666667 ] [ 0.388406 0.611594 0.666667 ] [ 0.388406 0.776813 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.88017124424 "source-unit" "angstrom" } "c" { "source-value" 8.74669301 "source-unit" "angstrom" } }