{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.847619 0.695237 0.75 ] [ 0.152381 0.847619 0.25 ] [ 0.695237 0.847619 0.25 ] [ 0.304763 0.152381 0.75 ] [ 0.152381 0.304763 0.25 ] [ 0.847619 0.152381 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "V" "V" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.36552824081 "source-unit" "angstrom" } "c" { "source-value" 6.27968606 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.633601455 "source-unit" "eV" } }