{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.019714 ] [ 0 0 0.519714 ] [ 0.333333 0.666667 0.173463 ] [ 0.666667 0.333333 0.673463 ] [ 0.267303 0.355228 0.701181 ] [ 0.644772 0.912075 0.701181 ] [ 0.087925 0.732697 0.701181 ] [ 0.912075 0.267303 0.201181 ] [ 0.355228 0.087925 0.201181 ] [ 0.732697 0.644772 0.201181 ] [ 0.144822 0.22756 0.327803 ] [ 0.468962 0.599803 0.050131 ] [ 0.130842 0.531038 0.050131 ] [ 0.333333 0.666667 0.487278 ] [ 0.77244 0.917262 0.327803 ] [ 0.400197 0.869158 0.050131 ] [ 0.917262 0.144822 0.827803 ] [ 0.082738 0.855178 0.327803 ] [ 0.599803 0.130842 0.550131 ] [ 0.22756 0.082738 0.827803 ] [ 0.666667 0.333333 0.987278 ] [ 0.869158 0.468962 0.550131 ] [ 0.531038 0.400197 0.550131 ] [ 0.855178 0.77244 0.827803 ] ] } "species" { "source-value" [ "Li" "Li" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 8.58475748 "source-unit" "angstrom" } "c" { "source-value" 5.22425259 "source-unit" "angstrom" } }