{ "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 ] [ 0.328949 0.328949 0.757836 ] [ 0.671051 0.671051 0.242164 ] [ 0.671051 0 0.757836 ] [ 0.328949 0 0.242164 ] [ 0 0.328949 0.242164 ] [ 0 0.671051 0.757836 ] ] } "species" { "source-value" [ "Sr" "Sr" "Ca" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 8.1511557 "source-unit" "angstrom" } "c" { "source-value" 7.18989582 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2613318855555553 "source-unit" "eV" } }