{ "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 0.581724 0.5 ] [ 0.581724 0 0.5 ] [ 0.418276 0.418276 0.5 ] [ 0.376163 0.376163 0 ] [ 0.623837 0 0 ] [ 0 0.249331 0.223045 ] [ 0 0.623837 0 ] [ 0.249331 0 0.223045 ] [ 0 0.249331 0.776955 ] [ 0.249331 0 0.776955 ] [ 0.750669 0.750669 0.223045 ] [ 0.750669 0.750669 0.776955 ] [ 0 0 0 ] [ 0.666667 0.333333 0.762099 ] [ 0.666667 0.333333 0.237901 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.237901 ] [ 0.333333 0.666667 0.762099 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 6.63447947 "source-unit" "angstrom" } "c" { "source-value" 7.86911995 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.23322006 "source-unit" "eV" } }