{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.213617 0.427234 0.5 ] [ 0.786383 0.213617 0.5 ] [ 0.427234 0.213617 0.5 ] [ 0.572766 0.786383 0.5 ] [ 0.213617 0.786383 0.5 ] [ 0.786383 0.572766 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Ba" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.96263975855 "source-unit" "angstrom" } "c" { "source-value" 3.96993877 "source-unit" "angstrom" } }