{ "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" [ [ 0.768343 0.140781 0.243945 ] [ 0.231657 0.859219 0.743945 ] [ 0.859219 0.627562 0.243945 ] [ 0.372438 0.231657 0.243945 ] [ 0.627562 0.768343 0.743945 ] [ 0.140781 0.372438 0.743945 ] [ 0 0 0.021572 ] [ 0 0 0.521572 ] [ 0.666667 0.333333 0.662645 ] [ 0.333333 0.666667 0.162645 ] [ 0.666667 0.333333 0.034914 ] [ 0.333333 0.666667 0.534914 ] [ 0.853793 0.092295 0.788756 ] [ 0.146207 0.907705 0.288756 ] [ 0.907705 0.761498 0.788756 ] [ 0.238502 0.146207 0.788756 ] [ 0.761498 0.853793 0.288756 ] [ 0.092295 0.238502 0.288756 ] [ 0.901073 0.420837 0.516498 ] [ 0.098927 0.579163 0.016498 ] [ 0.579163 0.480236 0.516498 ] [ 0.519764 0.098927 0.516498 ] [ 0.480236 0.901073 0.016498 ] [ 0.420837 0.519764 0.016498 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Mn" "Mn" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.05370616 "source-unit" "angstrom" } "c" { "source-value" 5.99889888 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.5495793820833335 "source-unit" "eV" } }