{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.859664 0.235381 0.757821 ] [ 0.375717 0.140336 0.757821 ] [ 0.764619 0.624283 0.757821 ] [ 0.140336 0.764619 0.257821 ] [ 0.624283 0.859664 0.257821 ] [ 0.235381 0.375717 0.257821 ] [ 0 0 0.965555 ] [ 0 0 0.465555 ] [ 0.333333 0.666667 0.838497 ] [ 0.666667 0.333333 0.338497 ] [ 0.481254 0.580492 0.98743 ] [ 0.419508 0.900763 0.98743 ] [ 0.099237 0.518746 0.98743 ] [ 0.666667 0.333333 0.970569 ] [ 0.762348 0.909165 0.708456 ] [ 0.146817 0.237652 0.708456 ] [ 0.090835 0.853183 0.708456 ] [ 0.518746 0.419508 0.48743 ] [ 0.580492 0.099237 0.48743 ] [ 0.900763 0.481254 0.48743 ] [ 0.333333 0.666667 0.470569 ] [ 0.853183 0.762348 0.208456 ] [ 0.237652 0.090835 0.208456 ] [ 0.909165 0.146817 0.208456 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Mg" "Mg" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.11075621 "source-unit" "angstrom" } "c" { "source-value" 6.10121102 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.049649615416667 "source-unit" "eV" } }