{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.800549 ] [ 0.666667 0.333333 0.199451 ] [ 0 0 0.671854 ] [ 0 0 0.328146 ] [ 0.333333 0.666667 0 ] [ 0.976465 0.488232 0.5 ] [ 0.333333 0.666667 0.677051 ] [ 0.511768 0.488232 0.5 ] [ 0.511768 0.023535 0.5 ] [ 0.333333 0.666667 0.322949 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.10249210944 "source-unit" "angstrom" } "c" { "source-value" 11.19187918 "source-unit" "angstrom" } }