{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0.163948 0.836052 0.833333 ] [ 0.327897 0.163948 0.166667 ] [ 0.836052 0.672103 0.5 ] [ 0.836052 0.163948 0.833333 ] [ 0.672103 0.836052 0.166667 ] [ 0.163948 0.327897 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.166667 ] [ 0.5 0.5 0.833333 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61647462 "source-unit" "angstrom" } "c" { "source-value" 6.6174965 "source-unit" "angstrom" } }