{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.975024 ] [ 0.333333 0.666667 0.007838 ] [ 0.666667 0.333333 0.419131 ] [ 0.333333 0.666667 0.794976 ] [ 0.666667 0.333333 0.20789 ] ] } "species" { "source-value" [ "Ca" "H" "H" "O" "O" ] } "a" { "source-value" 3.86913553943 "source-unit" "angstrom" } "c" { "source-value" 4.62297737186 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.437670944 "source-unit" "eV" } }