{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.074598 0.293816 0.25 ] [ 0.219218 0.925402 0.25 ] [ 0.706184 0.780782 0.25 ] [ 0.706184 0.925402 0.75 ] [ 0.219218 0.293816 0.75 ] [ 0.074598 0.780782 0.75 ] [ 0.26975 0.202885 0.25 ] [ 0.933135 0.73025 0.25 ] [ 0.797115 0.066865 0.25 ] [ 0.797115 0.73025 0.75 ] [ 0.933135 0.202885 0.75 ] [ 0.26975 0.066865 0.75 ] [ 0.075038 0.430753 0.108924 ] [ 0.355715 0.924962 0.391076 ] [ 0.569247 0.644285 0.391076 ] [ 0.569247 0.644285 0.108924 ] [ 0.355715 0.924962 0.108924 ] [ 0.569247 0.924962 0.891076 ] [ 0.355715 0.430753 0.891076 ] [ 0.075038 0.644285 0.891076 ] [ 0.355715 0.430753 0.608924 ] [ 0.075038 0.644285 0.608924 ] [ 0.075038 0.430753 0.391076 ] [ 0.569247 0.924962 0.608924 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sn" "Sn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.02224944494 "source-unit" "angstrom" } "c" { "source-value" 10.39429357 "source-unit" "angstrom" } }