{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.159043 ] [ 0.666667 0.333333 0.544704 ] [ 0.666667 0.333333 0.76237 ] [ 0.333333 0.666667 0.452809 ] [ 0.333333 0.666667 0.044704 ] [ 0 0 0.347518 ] [ 0 0 0.659043 ] [ 0.666667 0.333333 0.952809 ] [ 0.333333 0.666667 0.26237 ] [ 0 0 0.847518 ] [ 0 0 0.748856 ] [ 0.666667 0.333333 0.865769 ] [ 0 0 0.248856 ] [ 0 0 0.00227 ] [ 0.333333 0.666667 0.365769 ] [ 0 0 0.50227 ] [ 0.666667 0.333333 0.62966 ] [ 0.333333 0.666667 0.12966 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "C" "C" "N" "N" ] } "a" { "source-value" 3.30871036234 "source-unit" "angstrom" } "c" { "source-value" 21.8276154 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.4188237699999995 "source-unit" "eV" } }