{ "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 0.5 0.166667 ] [ 0.5 0.5 0.833333 ] [ 0.5 0 0.5 ] [ 0.840762 0.681524 0.5 ] [ 0.159238 0.840762 0.833333 ] [ 0.681524 0.840762 0.166667 ] [ 0.159238 0.318476 0.5 ] [ 0.840762 0.159238 0.833333 ] [ 0.318476 0.159238 0.166667 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.81766889309 "source-unit" "angstrom" } "c" { "source-value" 6.62329755 "source-unit" "angstrom" } }