{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.3422 0.3422 0.5 ] [ 0 0.6578 0.5 ] [ 0.6578 0 0.5 ] [ 0.707929 0.707929 0 ] [ 0.292071 0 0 ] [ 0 0.292071 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0 0.5 ] [ 0.843242 0.843242 0.5 ] [ 0.235001 0.744987 0 ] [ 0.490014 0.255013 0 ] [ 0.156758 0 0.5 ] [ 0 0.156758 0.5 ] [ 0.744987 0.235001 0 ] [ 0.509986 0.764999 0 ] [ 0.255013 0.490014 0 ] [ 0.764999 0.509986 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Li" "Li" "Li" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.41836184582 "source-unit" "angstrom" } "c" { "source-value" 3.40376078 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.364582365 "source-unit" "eV" } }