{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.61665 ] [ 0.666667 0.333333 0.38335 ] [ 0.666667 0.333333 0.718005 ] [ 0.333333 0.666667 0.281995 ] ] } "species" { "source-value" [ "Ca" "Mn" "Mn" "P" "P" ] } "a" { "source-value" 3.7945546 "source-unit" "angstrom" } "c" { "source-value" 6.78174446 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.912529223999999 "source-unit" "eV" } }