{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.890697 ] [ 0 0 0.109303 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.252894 ] [ 0.333333 0.666667 0.747106 ] [ 0.666667 0.333333 0.640358 ] [ 0.333333 0.666667 0.359642 ] [ 0.666667 0.333333 0.001999 ] [ 0.333333 0.666667 0.215104 ] [ 0.666667 0.333333 0.784896 ] [ 0.333333 0.666667 0.602383 ] [ 0.666667 0.333333 0.397617 ] [ 0.333333 0.666667 0.998001 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "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" 4.16329700195 "source-unit" "angstrom" } "c" { "source-value" 17.76858894 "source-unit" "angstrom" } }