{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.941286 0.631121 0.935186 ] [ 0.689834 0.058714 0.935186 ] [ 0.941286 0.310166 0.564814 ] [ 0.058714 0.368879 0.064814 ] [ 0.368879 0.058714 0.564814 ] [ 0.310166 0.941286 0.064814 ] [ 0.689834 0.631121 0.564814 ] [ 0.310166 0.368879 0.435186 ] [ 0.631121 0.941286 0.435186 ] [ 0.058714 0.689834 0.435186 ] [ 0.368879 0.310166 0.935186 ] [ 0.631121 0.689834 0.064814 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.957002 0.653077 0.119324 ] [ 0.696075 0.042998 0.119324 ] [ 0.303925 0.346923 0.619324 ] [ 0.346923 0.042998 0.380676 ] [ 0.042998 0.346923 0.880676 ] [ 0.696075 0.653077 0.380676 ] [ 0.957002 0.303925 0.380676 ] [ 0.303925 0.957002 0.880676 ] [ 0.042998 0.696075 0.619324 ] [ 0.653077 0.957002 0.619324 ] [ 0.653077 0.696075 0.880676 ] [ 0.346923 0.303925 0.119324 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ca" "Ca" "Ce" "Ce" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.86577820226 "source-unit" "angstrom" } "c" { "source-value" 10.76006426 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.8273479096428575 "source-unit" "eV" } }