{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.166997 0.333993 0.75 ] [ 0.166997 0.833003 0.75 ] [ 0.333993 0.166997 0.25 ] [ 0.833003 0.666007 0.25 ] [ 0.666007 0.833003 0.75 ] [ 0 0 0 ] [ 0.833003 0.166997 0.25 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.437158 ] [ 0.666667 0.333333 0.562842 ] [ 0.666667 0.333333 0.937158 ] [ 0.333333 0.666667 0.062842 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.15276493884 "source-unit" "angstrom" } "c" { "source-value" 10.09208049 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.9556748508333335 "source-unit" "eV" } }