{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0 0.328019 0.240935 ] [ 0 0.671981 0.759065 ] [ 0.328019 0 0.240935 ] [ 0.671981 0 0.759065 ] [ 0.328019 0.328019 0.759065 ] [ 0.671981 0.671981 0.240935 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 8.64177747 "source-unit" "angstrom" } "c" { "source-value" 7.35567102 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.3592557666666667 "source-unit" "eV" } }