{ "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 0.589389 0 ] [ 0.410611 0.410611 0 ] [ 0.589389 0 0 ] [ 0.747647 0.747647 0.5 ] [ 0 0.252353 0.5 ] [ 0.252353 0 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" ] } "a" { "source-value" 7.68851079997 "source-unit" "angstrom" } "c" { "source-value" 4.1307778 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.565387698888888 "source-unit" "eV" } }