{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.269716 0 0.25 ] [ 0.269716 0.269716 0.75 ] [ 0 0.730284 0.75 ] [ 0 0.269716 0.25 ] [ 0.730284 0.730284 0.25 ] [ 0.730284 0 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.613779 0 0.25 ] [ 0.613779 0.613779 0.75 ] [ 0 0.386221 0.75 ] [ 0 0.613779 0.25 ] [ 0.386221 0.386221 0.25 ] [ 0.386221 0 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.74468993876 "source-unit" "angstrom" } "c" { "source-value" 5.91735848 "source-unit" "angstrom" } }