{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.675565 0.021231 0.62959 ] [ 0.654333 0.675565 0.37041 ] [ 0.666667 0.333333 0.483857 ] [ 0.978769 0.654333 0.62959 ] [ 0.021231 0.345667 0.37041 ] [ 0.345667 0.324435 0.62959 ] [ 0.333333 0.666667 0.516143 ] [ 0.324435 0.978769 0.37041 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.949202 ] [ 0.333333 0.666667 0.050798 ] [ 0.308828 0.974122 0.751327 ] [ 0.665294 0.691172 0.751327 ] [ 0.334706 0.308828 0.248673 ] [ 0.974122 0.665294 0.248673 ] [ 0.691172 0.025878 0.248673 ] [ 0.025878 0.334706 0.751327 ] [ 0.480481 0.894852 0.26205 ] [ 0.83016 0.57682 0.395109 ] [ 0.211925 0.08493 0.724139 ] [ 0.585629 0.480481 0.73795 ] [ 0.08493 0.873004 0.275861 ] [ 0.25334 0.83016 0.604891 ] [ 0.369719 0.255281 0.062961 ] [ 0.630281 0.744719 0.937039 ] [ 0.788075 0.91507 0.275861 ] [ 0.255281 0.885561 0.937039 ] [ 0.894852 0.414371 0.73795 ] [ 0.126996 0.211925 0.275861 ] [ 0.16984 0.42318 0.604891 ] [ 0.114439 0.369719 0.937039 ] [ 0.57682 0.74666 0.604891 ] [ 0.414371 0.519519 0.26205 ] [ 0.105148 0.585629 0.26205 ] [ 0.519519 0.105148 0.73795 ] [ 0.873004 0.788075 0.724139 ] [ 0.744719 0.114439 0.062961 ] [ 0.74666 0.16984 0.395109 ] [ 0.91507 0.126996 0.724139 ] [ 0.42318 0.25334 0.395109 ] [ 0.885561 0.630281 0.062961 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "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" 8.53991728 "source-unit" "angstrom" } "c" { "source-value" 7.56635653 "source-unit" "angstrom" } }