{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.308525 ] [ 0.333333 0.666667 0.691475 ] [ 0 0 0 ] [ 0.84867 0.15133 0.780387 ] [ 0.84867 0.69734 0.780387 ] [ 0.30266 0.15133 0.780387 ] [ 0.15133 0.84867 0.219613 ] [ 0.15133 0.30266 0.219613 ] [ 0.69734 0.84867 0.219613 ] ] } "species" { "source-value" [ "Cs" "Cs" "Zr" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.52228668 "source-unit" "angstrom" } "c" { "source-value" 5.14377303 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.789725325555556 "source-unit" "eV" } }