{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.152076 0.966378 0.25 ] [ 0.814302 0.847924 0.25 ] [ 0.185698 0.152076 0.75 ] [ 0.847924 0.033622 0.75 ] [ 0.033622 0.185698 0.25 ] [ 0.966378 0.814302 0.75 ] [ 0.2834 0.935469 0.75 ] [ 0.7166 0.064531 0.25 ] [ 0.347931 0.2834 0.25 ] [ 0.935469 0.652069 0.25 ] [ 0.064531 0.347931 0.75 ] [ 0.652069 0.7166 0.75 ] ] } "species" { "source-value" [ "K" "K" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 9.00104588 "source-unit" "angstrom" } "c" { "source-value" 4.45531395 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.375733112857143 "source-unit" "eV" } }