{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0.668672 0.668672 0.379105 ] [ 0 0 0.85774 ] [ 0 0.331328 0.379105 ] [ 0.331328 0 0.379105 ] [ 0.666667 0.333333 0.853876 ] [ 0.333333 0.666667 0.853876 ] [ 0.646943 0.646943 0.006966 ] [ 0.353057 0 0.006966 ] [ 0.333333 0.666667 0.516801 ] [ 0 0.353057 0.006966 ] [ 0 0 0.492687 ] [ 0.666667 0.333333 0.516801 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Si" "Si" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.36094032617 "source-unit" "angstrom" } "c" { "source-value" 6.13625897143 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.65205331 "source-unit" "eV" } }