{ "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 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.346589 0.346589 0.743467 ] [ 0.653411 0.653411 0.256533 ] [ 0.653411 0 0.743467 ] [ 0.346589 0 0.256533 ] [ 0 0.346589 0.256533 ] [ 0 0.653411 0.743467 ] ] } "species" { "source-value" [ "Sr" "Ca" "Ca" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 7.96062851 "source-unit" "angstrom" } "c" { "source-value" 7.33017121 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.282065325555555 "source-unit" "eV" } }