{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0 ] [ 0 0.257243 0.25 ] [ 0.742757 0 0.75 ] [ 0.257243 0.257243 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0 0.742757 0.75 ] [ 0.666667 0.333333 0.5 ] [ 0.742757 0.742757 0.25 ] [ 0.257243 0 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.610937 0.610937 0.75 ] [ 0.389063 0 0.75 ] [ 0 0.610937 0.25 ] [ 0.389063 0.389063 0.25 ] [ 0 0.389063 0.75 ] [ 0.610937 0 0.25 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70704124336 "source-unit" "angstrom" } "c" { "source-value" 5.87679072 "source-unit" "angstrom" } }