{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.056797 0.361281 0.25 ] [ 0.695516 0.056797 0.75 ] [ 0.361281 0.304484 0.75 ] [ 0.638719 0.695516 0.25 ] [ 0.304484 0.943203 0.25 ] [ 0.943203 0.638719 0.75 ] [ 0.169678 0.143032 0.25 ] [ 0.026646 0.169678 0.75 ] [ 0.143032 0.973354 0.75 ] [ 0.856968 0.026646 0.25 ] [ 0.973354 0.830322 0.25 ] [ 0.830322 0.856968 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Te" "Te" "Te" "Te" "Te" "Te" "Mo" "Mo" "Mo" "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" 9.73871868397 "source-unit" "angstrom" } "c" { "source-value" 4.62013766 "source-unit" "angstrom" } }