{ "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" [ [ 0.666667 0.333333 0.712432 ] [ 0.333333 0.666667 0.212432 ] [ 0 0 0.79583 ] [ 0 0 0.29583 ] [ 0 0 0.529104 ] [ 0 0 0.029104 ] [ 0.666667 0.333333 0.12526 ] [ 0.333333 0.666667 0.62526 ] [ 0.666667 0.333333 0.407419 ] [ 0.333333 0.666667 0.907419 ] [ 0.666667 0.333333 0.844706 ] [ 0.333333 0.666667 0.344706 ] [ 0.666667 0.333333 0.984545 ] [ 0.333333 0.666667 0.484545 ] [ 0 0 0.664934 ] [ 0 0 0.164934 ] ] } "species" { "source-value" [ "Li" "Li" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.59197446678 "source-unit" "angstrom" } "c" { "source-value" 20.94852558 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.750392215625 "source-unit" "eV" } }