{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.7613 0.7613 0.25 ] [ 0.7613 0 0.75 ] [ 0 0.2387 0.25 ] [ 0 0.7613 0.75 ] [ 0.2387 0.2387 0.75 ] [ 0.2387 0 0.25 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.400686 0 0.75 ] [ 0.400686 0.400686 0.25 ] [ 0 0.599314 0.25 ] [ 0 0.400686 0.75 ] [ 0.599314 0.599314 0.75 ] [ 0.599314 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Si" "Si" "Si" "Si" "Si" "Si" "B" "B" ] } "a" { "source-value" 8.33378653855 "source-unit" "angstrom" } "c" { "source-value" 6.16425286 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.624034011666667 "source-unit" "eV" } }